Product OPENEYE NAME: 4-[[(E)-(3-ethoxycarbonyl-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-9-ylidene)methyl]amino]benzoic acid
CAS Name: 4-[[(E)-(3-ethoxycarbonyl-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-9-ylidene)methyl]amino]benzoic acid
IUPAC NAME: 4-[[(E)-(3-ethoxycarbonyl-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-9-ylidene)methyl]amino]benzoic acid
SYSTEMATIC NAME: 4-[[(E)-(3-ethoxycarbonyl-6-methyl-4-oxidanylidene-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-9-ylidene)methyl]amino]benzoic acid
MOLECULAR FORMULA: C20H21N3O5
MOLECULAR WEIGHT: 383.39784
SMILES: CCOC(=O)C1=CN=C2/C(=C/NC3=CC=C(C=C3)C(=O)O)/CCC(N2C1=O)C
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Product OPENEYE NAME: (9E)-9-[(2-carboxyanilino)methylene]-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxylic acid
CAS Name: (9E)-9-[(2-carboxyanilino)methylidene]-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxylic acid
IUPAC NAME: (9E)-9-[(2-carboxyanilino)methylidene]-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxylic acid
SYSTEMATIC NAME: (9E)-9-[[(2-carboxyphenyl)amino]methylidene]-4-oxidanylidene-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxylic acid
MOLECULAR FORMULA: C17H15N3O5
MOLECULAR WEIGHT: 341.3181
SMILES: C1C/C(=C\NC2=CC=CC=C2C(=O)O)/C3=NC=C(C(=O)N3C1)C(=O)O
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Product OPENEYE NAME: 4-(3-furyl)-7-[[3-(3-hydroxy-6,8-dioxabicyclo[3.2.1]octan-3-yl)phenyl]methoxy]quinoline-2-carbonitrile
CAS Name: 4-(3-furanyl)-7-[[3-(3-hydroxy-6,8-dioxabicyclo[3.2.1]octan-3-yl)phenyl]methoxy]-2-quinolinecarbonitrile
IUPAC NAME: 4-(furan-3-yl)-7-[[3-(3-hydroxy-6,8-dioxabicyclo[3.2.1]octan-3-yl)phenyl]methoxy]quinoline-2-carbonitrile
SYSTEMATIC NAME: 4-(furan-3-yl)-7-[[3-(3-oxidanyl-6,8-dioxabicyclo[3.2.1]octan-3-yl)phenyl]methoxy]quinoline-2-carbonitrile
MOLECULAR FORMULA: C27H22N2O5
MOLECULAR WEIGHT: 454.47398
SMILES: C1C2COC(O2)CC1(C3=CC(=CC=C3)COC4=CC5=NC(=CC(=C5C=C4)C6=COC=C6)C#N)O
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Product OPENEYE NAME: (10E)-10-[(2-carboxyanilino)methylene]-4-oxo-6,7,8,9-tetrahydropyrimido[1,2-a]azepine-3-carboxylic acid
CAS Name: (10E)-10-[(2-carboxyanilino)methylidene]-4-oxo-6,7,8,9-tetrahydropyrimido[1,2-a]azepine-3-carboxylic acid
IUPAC NAME: (10E)-10-[(2-carboxyanilino)methylidene]-4-oxo-6,7,8,9-tetrahydropyrimido[1,2-a]azepine-3-carboxylic acid
SYSTEMATIC NAME: (10E)-10-[[(2-carboxyphenyl)amino]methylidene]-4-oxidanylidene-6,7,8,9-tetrahydropyrimido[1,2-a]azepine-3-carboxylic acid
MOLECULAR FORMULA: C18H17N3O5
MOLECULAR WEIGHT: 355.34468
SMILES: C1CCN2C(=NC=C(C2=O)C(=O)O)/C(=C/NC3=CC=CC=C3C(=O)O)/C1
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Product OPENEYE NAME: (8E)-8-(anilinomethylene)-6-methyl-4-oxo-6,7-dihydropyrrolo[1,2-a]pyrimidine-3-carboxylic acid
CAS Name: (8E)-8-(anilinomethylidene)-6-methyl-4-oxo-6,7-dihydropyrrolo[1,2-a]pyrimidine-3-carboxylic acid
IUPAC NAME: (8E)-8-(anilinomethylidene)-6-methyl-4-oxo-6,7-dihydropyrrolo[1,2-a]pyrimidine-3-carboxylic acid
SYSTEMATIC NAME: (8E)-6-methyl-4-oxidanylidene-8-(phenylazanylmethylidene)-6,7-dihydropyrrolo[1,2-a]pyrimidine-3-carboxylic acid
MOLECULAR FORMULA: C16H15N3O3
MOLECULAR WEIGHT: 297.3086
SMILES: CC1C/C(=C\NC2=CC=CC=C2)/C3=NC=C(C(=O)N13)C(=O)O
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Product OPENEYE NAME: (8E)-8-(anilinomethylene)-4-oxo-6,7-dihydropyrrolo[1,2-a]pyrimidine-3-carboxylic acid
CAS Name: (8E)-8-(anilinomethylidene)-4-oxo-6,7-dihydropyrrolo[1,2-a]pyrimidine-3-carboxylic acid
IUPAC NAME: (8E)-8-(anilinomethylidene)-4-oxo-6,7-dihydropyrrolo[1,2-a]pyrimidine-3-carboxylic acid
SYSTEMATIC NAME: (8E)-4-oxidanylidene-8-(phenylazanylmethylidene)-6,7-dihydropyrrolo[1,2-a]pyrimidine-3-carboxylic acid
MOLECULAR FORMULA: C15H13N3O3
MOLECULAR WEIGHT: 283.28202
SMILES: C\1CN2C(=NC=C(C2=O)C(=O)O)/C1=C/NC3=CC=CC=C3
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MOLECULAR FORMULA: C21H17N7O5
MOLECULAR WEIGHT: 447.40358
SMILES: C1=COC(=C1)C2=NN3C(=N2)C4=C(N=C3N)N(N=C4)CCCC5=CC6=C(C=C5)O[C@H](O6)C(=O)O
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MOLECULAR FORMULA: C23H21N7O5
MOLECULAR WEIGHT: 475.45674
SMILES: CCOC(=O)[C@@H]1OC2=C(O1)C=C(C=C2)CCCN3C4=C(C=N3)C5=NC(=NN5C(=N4)N)C6=CC=CO6
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Product OPENEYE NAME: ethyl 4-oxo-7-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1H-quinoline-3-carboxylate
CAS Name: 4-oxo-7-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1H-quinoline-3-carboxylic acid ethyl ester
IUPAC NAME: ethyl 4-oxo-7-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1H-quinoline-3-carboxylate
SYSTEMATIC NAME: ethyl 4-oxidanylidene-7-(6-oxidanylidene-4,5-dihydro-1H-pyridazin-3-yl)-1H-quinoline-3-carboxylate
MOLECULAR FORMULA: C16H15N3O4
MOLECULAR WEIGHT: 313.308
SMILES: CCOC(=O)C1=CNC2=C(C1=O)C=CC(=C2)C3=NNC(=O)CC3
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Product OPENEYE NAME: (2S)-2-[[1-[2-(benzyloxycarbonylamino)propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenyl-propanoic acid
CAS Name: (2S)-2-[[oxo-[1-[1-oxo-2-(phenylmethoxycarbonylamino)propyl]-2-pyrrolidinyl]methyl]amino]-3-phenylpropanoic acid
IUPAC NAME: (2S)-3-phenyl-2-[[1-[2-(phenylmethoxycarbonylamino)propanoyl]pyrrolidine-2-carbonyl]amino]propanoic acid
SYSTEMATIC NAME: (2S)-3-phenyl-2-[[1-[2-(phenylmethoxycarbonylamino)propanoyl]pyrrolidin-2-yl]carbonylamino]propanoic acid
MOLECULAR FORMULA: C25H29N3O6
MOLECULAR WEIGHT: 467.51426
SMILES: CC(C(=O)N1CCCC1C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O)NC(=O)OCC3=CC=CC=C3
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Product OPENEYE NAME: N-[2-[[(1S)-5-amino-1-[2-(2-morpholinoethylamino)-2-oxo-acetyl]pentyl]amino]-2-oxo-ethyl]-2-(2-cyanophenyl)sulfanyl-N-methyl-benzamide
CAS Name: N-[2-[[(3S)-7-amino-1-[2-(4-morpholinyl)ethylamino]-1,2-dioxoheptan-3-yl]amino]-2-oxoethyl]-2-[(2-cyanophenyl)thio]-N-methylbenzamide
IUPAC NAME: N-[2-[[(3S)-7-amino-1-(2-morpholin-4-ylethylamino)-1,2-dioxoheptan-3-yl]amino]-2-oxoethyl]-2-(2-cyanophenyl)sulfanyl-N-methylbenzamide
SYSTEMATIC NAME: N-[2-[[(3S)-7-azanyl-1-(2-morpholin-4-ylethylamino)-1,2-bis(oxidanylidene)heptan-3-yl]amino]-2-oxidanylidene-ethyl]-2-(2-cyanophenyl)sulfanyl-N-methyl-benzamide
MOLECULAR FORMULA: C30H38N6O5S
MOLECULAR WEIGHT: 594.72492
SMILES: CN(CC(=O)N[C@@H](CCCCN)C(=O)C(=O)NCCN1CCOCC1)C(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N
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Product OPENEYE NAME: 2-(2,5-dioxo-3-furyl)-N-[4-[(5-methylisoxazol-3-yl)sulfamoyl]phenyl]acetamide
CAS Name: 2-(2,5-dioxo-3-furanyl)-N-[4-[(5-methyl-3-isoxazolyl)sulfamoyl]phenyl]acetamide
IUPAC NAME: 2-(2,5-dioxofuran-3-yl)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide
SYSTEMATIC NAME: 2-[2,5-bis(oxidanylidene)furan-3-yl]-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]ethanamide
MOLECULAR FORMULA: C16H13N3O7S
MOLECULAR WEIGHT: 391.35532
SMILES: CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CC3=CC(=O)OC3=O
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Product OPENEYE NAME: 2-[[4-[(2-amino-4-oxo-1H-quinazolin-6-yl)methyl-isopropyl-amino]benzoyl]amino]pentanedioic acid
CAS Name: 2-[[[4-[(2-amino-4-oxo-1H-quinazolin-6-yl)methyl-propan-2-ylamino]phenyl]-oxomethyl]amino]pentanedioic acid
IUPAC NAME: 2-[[4-[(2-amino-4-oxo-1H-quinazolin-6-yl)methyl-propan-2-ylamino]benzoyl]amino]pentanedioic acid
SYSTEMATIC NAME: 2-[[4-[(2-azanyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-propan-2-yl-amino]phenyl]carbonylamino]pentanedioic acid
MOLECULAR FORMULA: C24H27N5O6
MOLECULAR WEIGHT: 481.50108
SMILES: CC(C)N(CC1=CC2=C(C=C1)NC(=NC2=O)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O
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Product OPENEYE NAME: N-[4-[2-[[(2R)-2-hydroxy-2-(3-pyridyl)ethyl]amino]ethyl]phenyl]-4-(4-octyl-5-oxo-tetrazol-1-yl)benzenesulfonamide
CAS Name: N-[4-[2-[[(2R)-2-hydroxy-2-(3-pyridinyl)ethyl]amino]ethyl]phenyl]-4-(4-octyl-5-oxo-1-tetrazolyl)benzenesulfonamide
IUPAC NAME: N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-4-(4-octyl-5-oxotetrazol-1-yl)benzenesulfonamide
SYSTEMATIC NAME: 4-(4-octyl-5-oxidanylidene-1,2,3,4-tetrazol-1-yl)-N-[4-[2-[[(2R)-2-oxidanyl-2-pyridin-3-yl-ethyl]amino]ethyl]phenyl]benzenesulfonamide
MOLECULAR FORMULA: C30H39N7O4S
MOLECULAR WEIGHT: 593.74016
SMILES: CCCCCCCCN1C(=O)N(N=N1)C2=CC=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)CCNC[C@@H](C4=CN=CC=C4)O
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Product OPENEYE NAME: 3-hydroxy-2,2-dimethyl-4,10-dihydro-3H-pyrano[2,3-b]quinolin-5-one
CAS Name: 3-hydroxy-2,2-dimethyl-4,10-dihydro-3H-pyrano[2,3-b]quinolin-5-one
IUPAC NAME: 3-hydroxy-2,2-dimethyl-4,10-dihydro-3H-pyrano[2,3-b]quinolin-5-one
SYSTEMATIC NAME: 2,2-dimethyl-3-oxidanyl-4,10-dihydro-3H-pyrano[2,3-b]quinolin-5-one
MOLECULAR FORMULA: C14H15NO3
MOLECULAR WEIGHT: 245.2738
SMILES: CC1(C(CC2=C(O1)NC3=CC=CC=C3C2=O)O)C
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Product OPENEYE NAME: 5-[(2-fluorophenyl)-(4-methylpiperazin-1-yl)methyl]-3-methyl-isothiazole
CAS Name: 5-[(2-fluorophenyl)-(4-methyl-1-piperazinyl)methyl]-3-methylisothiazole
IUPAC NAME: 5-[(2-fluorophenyl)-(4-methylpiperazin-1-yl)methyl]-3-methyl-1,2-thiazole
SYSTEMATIC NAME: 5-[(2-fluorophenyl)-(4-methylpiperazin-1-yl)methyl]-3-methyl-1,2-thiazole
MOLECULAR FORMULA: C16H20FN3S
MOLECULAR WEIGHT: 305.413503
SMILES: CC1=NSC(=C1)C(C2=CC=CC=C2F)N3CCN(CC3)C
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Product OPENEYE NAME: 4-methoxy-6-propyl-3-(3-pyridyl)-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyridin-2-one
CAS Name: 4-methoxy-6-propyl-3-(3-pyridinyl)-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-pyridinone
IUPAC NAME: 4-methoxy-6-propyl-3-pyridin-3-yl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyridin-2-one
SYSTEMATIC NAME: 4-methoxy-6-propyl-3-pyridin-3-yl-1-[[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]pyridin-2-one
MOLECULAR FORMULA: C28H26N6O2
MOLECULAR WEIGHT: 478.54504
SMILES: CCCC1=CC(=C(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C5=CN=CC=C5)OC
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Product OPENEYE NAME: 2-[[2-[[(2S)-2-[2-(6-methoxy-2-naphthyl)propanoylamino]-4-methyl-pentanoyl]amino]acetyl]amino]acetic acid
CAS Name: 2-[[2-[[(2S)-2-[[2-(6-methoxy-2-naphthalenyl)-1-oxopropyl]amino]-4-methyl-1-oxopentyl]amino]-1-oxoethyl]amino]acetic acid
IUPAC NAME: 2-[[2-[[(2S)-2-[2-(6-methoxynaphthalen-2-yl)propanoylamino]-4-methylpentanoyl]amino]acetyl]amino]acetic acid
SYSTEMATIC NAME: 2-[2-[[(2S)-2-[2-(6-methoxynaphthalen-2-yl)propanoylamino]-4-methyl-pentanoyl]amino]ethanoylamino]ethanoic acid
MOLECULAR FORMULA: C24H31N3O6
MOLECULAR WEIGHT: 457.51944
SMILES: CC(C)C[C@@H](C(=O)NCC(=O)NCC(=O)O)NC(=O)C(C)C1=CC2=C(C=C1)C=C(C=C2)OC
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Product OPENEYE NAME: (2S)-5-guanidino-2-[2-(6-methoxy-2-naphthyl)propanoylamino]pentanoic acid
CAS Name: (2S)-5-(diaminomethylideneamino)-2-[[2-(6-methoxy-2-naphthalenyl)-1-oxopropyl]amino]pentanoic acid
IUPAC NAME: (2S)-5-(diaminomethylideneamino)-2-[2-(6-methoxynaphthalen-2-yl)propanoylamino]pentanoic acid
SYSTEMATIC NAME: (2S)-5-[bis(azanyl)methylideneamino]-2-[2-(6-methoxynaphthalen-2-yl)propanoylamino]pentanoic acid
MOLECULAR FORMULA: C20H26N4O4
MOLECULAR WEIGHT: 386.44484
SMILES: CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O
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