Saturday, December 29, 2012

All Chemical Compounds Information




Product OPENEYE NAME: [2-[4-(2-methylpropanoylamino)phenyl]-2-oxo-ethyl] 6-methylpyridine-3-carboxylate
CAS Name: 6-methyl-3-pyridinecarboxylic acid [2-[4-[(2-methyl-1-oxopropyl)amino]phenyl]-2-oxoethyl] ester
IUPAC NAME: [2-[4-(2-methylpropanoylamino)phenyl]-2-oxoethyl] 6-methylpyridine-3-carboxylate
SYSTEMATIC NAME: [2-[4-(2-methylpropanoylamino)phenyl]-2-oxidanylidene-ethyl] 6-methylpyridine-3-carboxylate
MOLECULAR FORMULA: C19H20N2O4
MOLECULAR WEIGHT: 340.3731
SMILES: CC1=NC=C(C=C1)C(=O)OCC(=O)C2=CC=C(C=C2)NC(=O)C(C)C
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Product OPENEYE NAME: [5-(3-thienyl)-1,2,4-oxadiazol-3-yl]methyl 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoate
CAS Name: 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylthio]benzoic acid [5-(3-thiophenyl)-1,2,4-oxadiazol-3-yl]methyl ester
IUPAC NAME: (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoate
SYSTEMATIC NAME: (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoate
MOLECULAR FORMULA: C18H14N4O4S2
MOLECULAR WEIGHT: 414.45816
SMILES: CC1=NOC(=N1)CSC2=CC=CC=C2C(=O)OCC3=NOC(=N3)C4=CSC=C4
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Product OPENEYE NAME: [5-(3-thienyl)-1,2,4-oxadiazol-3-yl]methyl 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate
CAS Name: 2-(1,2,4-triazol-1-yl)-3-pyridinecarboxylic acid [5-(3-thiophenyl)-1,2,4-oxadiazol-3-yl]methyl ester
IUPAC NAME: (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate
SYSTEMATIC NAME: (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate
MOLECULAR FORMULA: C15H10N6O3S
MOLECULAR WEIGHT: 354.3433
SMILES: C1=CC(=C(N=C1)N2C=NC=N2)C(=O)OCC3=NOC(=N3)C4=CSC=C4
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Product OPENEYE NAME: pyrrolidin-1-yl-[6-[[5-(3-thienyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-3-pyridyl]methanone
CAS Name: 1-pyrrolidinyl-[6-[[5-(3-thiophenyl)-1,2,4-oxadiazol-3-yl]methylthio]-3-pyridinyl]methanone
IUPAC NAME: pyrrolidin-1-yl-[6-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylsulfanyl]pyridin-3-yl]methanone
SYSTEMATIC NAME: pyrrolidin-1-yl-[6-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylsulfanyl]pyridin-3-yl]methanone
MOLECULAR FORMULA: C17H16N4O2S2
MOLECULAR WEIGHT: 372.46454
SMILES: C1CCN(C1)C(=O)C2=CN=C(C=C2)SCC3=NOC(=N3)C4=CSC=C4
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Product OPENEYE NAME: N-[2-[2-[benzyl(methyl)amino]-2-oxo-ethyl]sulfanyl-5,6-dimethyl-furo[2,3-d]pyrimidin-4-yl]benzamide
CAS Name: N-[5,6-dimethyl-2-[[2-[methyl-(phenylmethyl)amino]-2-oxoethyl]thio]-4-furo[2,3-d]pyrimidinyl]benzamide
IUPAC NAME: N-[2-[2-[benzyl(methyl)amino]-2-oxoethyl]sulfanyl-5,6-dimethylfuro[2,3-d]pyrimidin-4-yl]benzamide
SYSTEMATIC NAME: N-[5,6-dimethyl-2-[2-[methyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]sulfanyl-furo[2,3-d]pyrimidin-4-yl]benzamide
MOLECULAR FORMULA: C25H24N4O3S
MOLECULAR WEIGHT: 460.54806
SMILES: CC1=C(OC2=NC(=NC(=C12)NC(=O)C3=CC=CC=C3)SCC(=O)N(C)CC4=CC=CC=C4)C
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Product OPENEYE NAME: N-[2-[2-(2-chloroanilino)-2-oxo-ethyl]sulfanyl-5,6-dimethyl-furo[2,3-d]pyrimidin-4-yl]benzamide
CAS Name: N-[2-[[2-(2-chloroanilino)-2-oxoethyl]thio]-5,6-dimethyl-4-furo[2,3-d]pyrimidinyl]benzamide
IUPAC NAME: N-[2-[2-(2-chloroanilino)-2-oxoethyl]sulfanyl-5,6-dimethylfuro[2,3-d]pyrimidin-4-yl]benzamide
SYSTEMATIC NAME: N-[2-[2-[(2-chlorophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-5,6-dimethyl-furo[2,3-d]pyrimidin-4-yl]benzamide
MOLECULAR FORMULA: C23H19ClN4O3S
MOLECULAR WEIGHT: 466.93996
SMILES: CC1=C(OC2=NC(=NC(=C12)NC(=O)C3=CC=CC=C3)SCC(=O)NC4=CC=CC=C4Cl)C
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Product OPENEYE NAME: N-[2-[2-(3-cyanoanilino)-2-oxo-ethyl]sulfanyl-5,6-dimethyl-furo[2,3-d]pyrimidin-4-yl]benzamide
CAS Name: N-[2-[[2-(3-cyanoanilino)-2-oxoethyl]thio]-5,6-dimethyl-4-furo[2,3-d]pyrimidinyl]benzamide
IUPAC NAME: N-[2-[2-(3-cyanoanilino)-2-oxoethyl]sulfanyl-5,6-dimethylfuro[2,3-d]pyrimidin-4-yl]benzamide
SYSTEMATIC NAME: N-[2-[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-5,6-dimethyl-furo[2,3-d]pyrimidin-4-yl]benzamide
MOLECULAR FORMULA: C24H19N5O3S
MOLECULAR WEIGHT: 457.50436
SMILES: CC1=C(OC2=NC(=NC(=C12)NC(=O)C3=CC=CC=C3)SCC(=O)NC4=CC=CC(=C4)C#N)C
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Product OPENEYE NAME: N-[2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]sulfanyl-5,6-dimethyl-furo[2,3-d]pyrimidin-4-yl]benzamide
CAS Name: N-[2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]thio]-5,6-dimethyl-4-furo[2,3-d]pyrimidinyl]benzamide
IUPAC NAME: N-[2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanyl-5,6-dimethylfuro[2,3-d]pyrimidin-4-yl]benzamide
SYSTEMATIC NAME: N-[2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanyl-5,6-dimethyl-furo[2,3-d]pyrimidin-4-yl]benzamide
MOLECULAR FORMULA: C26H24N4O3S
MOLECULAR WEIGHT: 472.55876
SMILES: CC1=C(OC2=NC(=NC(=C12)NC(=O)C3=CC=CC=C3)SCC(=O)N4CCC5=CC=CC=C5C4)C
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Product OPENEYE NAME: N-[2-[2-[2-(difluoromethoxy)anilino]-2-oxo-ethyl]sulfanyl-5,6-dimethyl-furo[2,3-d]pyrimidin-4-yl]benzamide
CAS Name: N-[2-[[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]thio]-5,6-dimethyl-4-furo[2,3-d]pyrimidinyl]benzamide
IUPAC NAME: N-[2-[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]sulfanyl-5,6-dimethylfuro[2,3-d]pyrimidin-4-yl]benzamide
SYSTEMATIC NAME: N-[2-[2-[[2-[bis(fluoranyl)methoxy]phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-5,6-dimethyl-furo[2,3-d]pyrimidin-4-yl]benzamide
MOLECULAR FORMULA: C24H20F2N4O4S
MOLECULAR WEIGHT: 498.501806
SMILES: CC1=C(OC2=NC(=NC(=C12)NC(=O)C3=CC=CC=C3)SCC(=O)NC4=CC=CC=C4OC(F)F)C
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Product OPENEYE NAME: N-[2-[2-(2-methoxyethylamino)-2-oxo-ethyl]sulfanyl-5,6-dimethyl-furo[2,3-d]pyrimidin-4-yl]benzamide
CAS Name: N-[2-[[2-(2-methoxyethylamino)-2-oxoethyl]thio]-5,6-dimethyl-4-furo[2,3-d]pyrimidinyl]benzamide
IUPAC NAME: N-[2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanyl-5,6-dimethylfuro[2,3-d]pyrimidin-4-yl]benzamide
SYSTEMATIC NAME: N-[2-[2-(2-methoxyethylamino)-2-oxidanylidene-ethyl]sulfanyl-5,6-dimethyl-furo[2,3-d]pyrimidin-4-yl]benzamide
MOLECULAR FORMULA: C20H22N4O4S
MOLECULAR WEIGHT: 414.47808
SMILES: CC1=C(OC2=NC(=NC(=C12)NC(=O)C3=CC=CC=C3)SCC(=O)NCCOC)C
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Product OPENEYE NAME: N-[2-[2-[(2-methoxy-1-methyl-ethyl)amino]-2-oxo-ethyl]sulfanyl-5,6-dimethyl-furo[2,3-d]pyrimidin-4-yl]benzamide
CAS Name: N-[2-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]thio]-5,6-dimethyl-4-furo[2,3-d]pyrimidinyl]benzamide
IUPAC NAME: N-[2-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]sulfanyl-5,6-dimethylfuro[2,3-d]pyrimidin-4-yl]benzamide
SYSTEMATIC NAME: N-[2-[2-(1-methoxypropan-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-5,6-dimethyl-furo[2,3-d]pyrimidin-4-yl]benzamide
MOLECULAR FORMULA: C21H24N4O4S
MOLECULAR WEIGHT: 428.50466
SMILES: CC1=C(OC2=NC(=NC(=C12)NC(=O)C3=CC=CC=C3)SCC(=O)NC(C)COC)C
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Product OPENEYE NAME: N-[5,6-dimethyl-2-[(5-oxothiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]furo[2,3-d]pyrimidin-4-yl]benzamide
CAS Name: N-[5,6-dimethyl-2-[(5-oxo-7-thiazolo[3,2-a]pyrimidinyl)methylthio]-4-furo[2,3-d]pyrimidinyl]benzamide
IUPAC NAME: N-[5,6-dimethyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]furo[2,3-d]pyrimidin-4-yl]benzamide
SYSTEMATIC NAME: N-[5,6-dimethyl-2-[(5-oxidanylidene-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]furo[2,3-d]pyrimidin-4-yl]benzamide
MOLECULAR FORMULA: C22H17N5O3S2
MOLECULAR WEIGHT: 463.53208
SMILES: CC1=C(OC2=NC(=NC(=C12)NC(=O)C3=CC=CC=C3)SCC4=CC(=O)N5C=CSC5=N4)C
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Product OPENEYE NAME: N-[2-[2-[(1-cyano-1,2-dimethyl-propyl)amino]-2-oxo-ethyl]sulfanyl-5,6-dimethyl-furo[2,3-d]pyrimidin-4-yl]benzamide
CAS Name: N-[2-[[2-[(2-cyano-3-methylbutan-2-yl)amino]-2-oxoethyl]thio]-5,6-dimethyl-4-furo[2,3-d]pyrimidinyl]benzamide
IUPAC NAME: N-[2-[2-[(2-cyano-3-methylbutan-2-yl)amino]-2-oxoethyl]sulfanyl-5,6-dimethylfuro[2,3-d]pyrimidin-4-yl]benzamide
SYSTEMATIC NAME: N-[2-[2-[(2-cyano-3-methyl-butan-2-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-5,6-dimethyl-furo[2,3-d]pyrimidin-4-yl]benzamide
MOLECULAR FORMULA: C23H25N5O3S
MOLECULAR WEIGHT: 451.5413
SMILES: CC1=C(OC2=NC(=NC(=C12)NC(=O)C3=CC=CC=C3)SCC(=O)NC(C)(C#N)C(C)C)C
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Product OPENEYE NAME: N-[2-[2-(allylcarbamoylamino)-2-oxo-ethyl]sulfanyl-5,6-dimethyl-furo[2,3-d]pyrimidin-4-yl]benzamide
CAS Name: N-[5,6-dimethyl-2-[[2-oxo-2-[[oxo-(prop-2-enylamino)methyl]amino]ethyl]thio]-4-furo[2,3-d]pyrimidinyl]benzamide
IUPAC NAME: N-[5,6-dimethyl-2-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]sulfanylfuro[2,3-d]pyrimidin-4-yl]benzamide
SYSTEMATIC NAME: N-[5,6-dimethyl-2-[2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl]sulfanyl-furo[2,3-d]pyrimidin-4-yl]benzamide
MOLECULAR FORMULA: C21H21N5O4S
MOLECULAR WEIGHT: 439.48754
SMILES: CC1=C(OC2=NC(=NC(=C12)NC(=O)C3=CC=CC=C3)SCC(=O)NC(=O)NCC=C)C
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Product OPENEYE NAME: N-[2-[2-(2-cyanoanilino)-1-methyl-2-oxo-ethyl]sulfanyl-5,6-dimethyl-furo[2,3-d]pyrimidin-4-yl]benzamide
CAS Name: N-[2-[[1-(2-cyanoanilino)-1-oxopropan-2-yl]thio]-5,6-dimethyl-4-furo[2,3-d]pyrimidinyl]benzamide
IUPAC NAME: N-[2-[1-(2-cyanoanilino)-1-oxopropan-2-yl]sulfanyl-5,6-dimethylfuro[2,3-d]pyrimidin-4-yl]benzamide
SYSTEMATIC NAME: N-[2-[1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanyl-5,6-dimethyl-furo[2,3-d]pyrimidin-4-yl]benzamide
MOLECULAR FORMULA: C25H21N5O3S
MOLECULAR WEIGHT: 471.53094
SMILES: CC1=C(OC2=NC(=NC(=C12)NC(=O)C3=CC=CC=C3)SC(C)C(=O)NC4=CC=CC=C4C#N)C
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Product OPENEYE NAME: methyl 3-[[2-(4-benzamido-5,6-dimethyl-furo[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]benzoate
CAS Name: 3-[[2-[(4-benzamido-5,6-dimethyl-2-furo[2,3-d]pyrimidinyl)thio]-1-oxoethyl]amino]benzoic acid methyl ester
IUPAC NAME: methyl 3-[[2-(4-benzamido-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]benzoate
SYSTEMATIC NAME: methyl 3-[2-(4-benzamido-5,6-dimethyl-furo[2,3-d]pyrimidin-2-yl)sulfanylethanoylamino]benzoate
MOLECULAR FORMULA: C25H22N4O5S
MOLECULAR WEIGHT: 490.53098
SMILES: CC1=C(OC2=NC(=NC(=C12)NC(=O)C3=CC=CC=C3)SCC(=O)NC4=CC=CC(=C4)C(=O)OC)C
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Product OPENEYE NAME: N-[2-[2-[4-(cyanomethyl)anilino]-2-oxo-ethyl]sulfanyl-5,6-dimethyl-furo[2,3-d]pyrimidin-4-yl]benzamide
CAS Name: N-[2-[[2-[4-(cyanomethyl)anilino]-2-oxoethyl]thio]-5,6-dimethyl-4-furo[2,3-d]pyrimidinyl]benzamide
IUPAC NAME: N-[2-[2-[4-(cyanomethyl)anilino]-2-oxoethyl]sulfanyl-5,6-dimethylfuro[2,3-d]pyrimidin-4-yl]benzamide
SYSTEMATIC NAME: N-[2-[2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-5,6-dimethyl-furo[2,3-d]pyrimidin-4-yl]benzamide
MOLECULAR FORMULA: C25H21N5O3S
MOLECULAR WEIGHT: 471.53094
SMILES: CC1=C(OC2=NC(=NC(=C12)NC(=O)C3=CC=CC=C3)SCC(=O)NC4=CC=C(C=C4)CC#N)C
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Product OPENEYE NAME: N-[5,6-dimethyl-2-[(5-methylisoxazol-3-yl)methylsulfanyl]furo[2,3-d]pyrimidin-4-yl]benzamide
CAS Name: N-[5,6-dimethyl-2-[(5-methyl-3-isoxazolyl)methylthio]-4-furo[2,3-d]pyrimidinyl]benzamide
IUPAC NAME: N-[5,6-dimethyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]furo[2,3-d]pyrimidin-4-yl]benzamide
SYSTEMATIC NAME: N-[5,6-dimethyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]furo[2,3-d]pyrimidin-4-yl]benzamide
MOLECULAR FORMULA: C20H18N4O3S
MOLECULAR WEIGHT: 394.44692
SMILES: CC1=CC(=NO1)CSC2=NC(=C3C(=C(OC3=N2)C)C)NC(=O)C4=CC=CC=C4
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Product OPENEYE NAME: N-[5,6-dimethyl-2-[2-[methyl(3-thienylmethyl)amino]-2-oxo-ethyl]sulfanyl-furo[2,3-d]pyrimidin-4-yl]benzamide
CAS Name: N-[5,6-dimethyl-2-[[2-[methyl(3-thiophenylmethyl)amino]-2-oxoethyl]thio]-4-furo[2,3-d]pyrimidinyl]benzamide
IUPAC NAME: N-[5,6-dimethyl-2-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]sulfanylfuro[2,3-d]pyrimidin-4-yl]benzamide
SYSTEMATIC NAME: N-[5,6-dimethyl-2-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxidanylidene-ethyl]sulfanyl-furo[2,3-d]pyrimidin-4-yl]benzamide
MOLECULAR FORMULA: C23H22N4O3S2
MOLECULAR WEIGHT: 466.57578
SMILES: CC1=C(OC2=NC(=NC(=C12)NC(=O)C3=CC=CC=C3)SCC(=O)N(C)CC4=CSC=C4)C
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Product OPENEYE NAME: methyl 4-[[2-(4-benzamido-5,6-dimethyl-furo[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]butanoate
CAS Name: 4-[[2-[(4-benzamido-5,6-dimethyl-2-furo[2,3-d]pyrimidinyl)thio]-1-oxoethyl]amino]butanoic acid methyl ester
IUPAC NAME: methyl 4-[[2-(4-benzamido-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]butanoate
SYSTEMATIC NAME: methyl 4-[2-(4-benzamido-5,6-dimethyl-furo[2,3-d]pyrimidin-2-yl)sulfanylethanoylamino]butanoate
MOLECULAR FORMULA: C22H24N4O5S
MOLECULAR WEIGHT: 456.51476
SMILES: CC1=C(OC2=NC(=NC(=C12)NC(=O)C3=CC=CC=C3)SCC(=O)NCCCC(=O)OC)C
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Product OPENEYE NAME: N-[5,6-dimethyl-2-[2-oxo-2-(prop-2-ynylamino)ethyl]sulfanyl-furo[2,3-d]pyrimidin-4-yl]benzamide
CAS Name: N-[5,6-dimethyl-2-[[2-oxo-2-(prop-2-ynylamino)ethyl]thio]-4-furo[2,3-d]pyrimidinyl]benzamide
IUPAC NAME: N-[5,6-dimethyl-2-[2-oxo-2-(prop-2-ynylamino)ethyl]sulfanylfuro[2,3-d]pyrimidin-4-yl]benzamide
SYSTEMATIC NAME: N-[5,6-dimethyl-2-[2-oxidanylidene-2-(prop-2-ynylamino)ethyl]sulfanyl-furo[2,3-d]pyrimidin-4-yl]benzamide
MOLECULAR FORMULA: C20H18N4O3S
MOLECULAR WEIGHT: 394.44692
SMILES: CC1=C(OC2=NC(=NC(=C12)NC(=O)C3=CC=CC=C3)SCC(=O)NCC#C)C
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Product OPENEYE NAME: N-[5,6-dimethyl-2-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]sulfanyl-furo[2,3-d]pyrimidin-4-yl]benzamide
CAS Name: N-[5,6-dimethyl-2-[[2-oxo-2-[[oxo-(2,2,2-trifluoroethylamino)methyl]amino]ethyl]thio]-4-furo[2,3-d]pyrimidinyl]benzamide
IUPAC NAME: N-[5,6-dimethyl-2-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]sulfanylfuro[2,3-d]pyrimidin-4-yl]benzamide
SYSTEMATIC NAME: N-[5,6-dimethyl-2-[2-oxidanylidene-2-[2,2,2-tris(fluoranyl)ethylcarbamoylamino]ethyl]sulfanyl-furo[2,3-d]pyrimidin-4-yl]benzamide
MOLECULAR FORMULA: C20H18F3N5O4S
MOLECULAR WEIGHT: 481.44823
SMILES: CC1=C(OC2=NC(=NC(=C12)NC(=O)C3=CC=CC=C3)SCC(=O)NC(=O)NCC(F)(F)F)C
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