Product OPENEYE NAME: 1-(2-methoxyphenyl)-4-[(1S,3R)-3-(4-phenyltriazol-1-yl)cyclohexyl]piperazine
CAS Name: 1-(2-methoxyphenyl)-4-[(1S,3R)-3-(4-phenyl-1-triazolyl)cyclohexyl]piperazine
IUPAC NAME: 1-(2-methoxyphenyl)-4-[(1S,3R)-3-(4-phenyltriazol-1-yl)cyclohexyl]piperazine
SYSTEMATIC NAME: 1-(2-methoxyphenyl)-4-[(1S,3R)-3-(4-phenyl-1,2,3-triazol-1-yl)cyclohexyl]piperazine
MOLECULAR FORMULA: C25H31N5O
MOLECULAR WEIGHT: 417.54654
SMILES: COC1=CC=CC=C1N2CCN(CC2)[C@H]3CCC[C@H](C3)N4C=C(N=N4)C5=CC=CC=C5
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Product OPENEYE NAME: N2-cyclohexyl-N6-(5-methyl-1H-pyrazol-3-yl)pyrazine-2,6-diamine
CAS Name: N2-cyclohexyl-N6-(5-methyl-1H-pyrazol-3-yl)pyrazine-2,6-diamine
IUPAC NAME: 2-N-cyclohexyl-6-N-(5-methyl-1H-pyrazol-3-yl)pyrazine-2,6-diamine
SYSTEMATIC NAME: N2-cyclohexyl-N6-(5-methyl-1H-pyrazol-3-yl)pyrazine-2,6-diamine
MOLECULAR FORMULA: C14H20N6
MOLECULAR WEIGHT: 272.3488
SMILES: CC1=CC(=NN1)NC2=CN=CC(=N2)NC3CCCCC3
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Product OPENEYE NAME: N6-indan-5-yl-N2-(5-methyl-1H-pyrazol-3-yl)pyrazine-2,6-diamine
CAS Name: N6-(2,3-dihydro-1H-inden-5-yl)-N2-(5-methyl-1H-pyrazol-3-yl)pyrazine-2,6-diamine
IUPAC NAME: 6-N-(2,3-dihydro-1H-inden-5-yl)-2-N-(5-methyl-1H-pyrazol-3-yl)pyrazine-2,6-diamine
SYSTEMATIC NAME: N6-(2,3-dihydro-1H-inden-5-yl)-N2-(5-methyl-1H-pyrazol-3-yl)pyrazine-2,6-diamine
MOLECULAR FORMULA: C17H18N6
MOLECULAR WEIGHT: 306.36502
SMILES: CC1=CC(=NN1)NC2=NC(=CN=C2)NC3=CC4=C(CCC4)C=C3
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Product OPENEYE NAME: N-[2-chloro-5-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazin-2-yl]amino]phenyl]acetamide
CAS Name: N-[2-chloro-5-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyrazinyl]amino]phenyl]acetamide
IUPAC NAME: N-[2-chloro-5-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazin-2-yl]amino]phenyl]acetamide
SYSTEMATIC NAME: N-[2-chloranyl-5-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazin-2-yl]amino]phenyl]ethanamide
MOLECULAR FORMULA: C16H16ClN7O
MOLECULAR WEIGHT: 357.79754
SMILES: CC1=CC(=NN1)NC2=NC(=CN=C2)NC3=CC(=C(C=C3)Cl)NC(=O)C
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Product OPENEYE NAME: N6-(3,4-dichlorophenyl)-N2-(5-methyl-1H-pyrazol-3-yl)pyrazine-2,6-diamine
CAS Name: N6-(3,4-dichlorophenyl)-N2-(5-methyl-1H-pyrazol-3-yl)pyrazine-2,6-diamine
IUPAC NAME: 6-N-(3,4-dichlorophenyl)-2-N-(5-methyl-1H-pyrazol-3-yl)pyrazine-2,6-diamine
SYSTEMATIC NAME: N6-(3,4-dichlorophenyl)-N2-(5-methyl-1H-pyrazol-3-yl)pyrazine-2,6-diamine
MOLECULAR FORMULA: C14H12Cl2N6
MOLECULAR WEIGHT: 335.19128
SMILES: CC1=CC(=NN1)NC2=NC(=CN=C2)NC3=CC(=C(C=C3)Cl)Cl
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Product OPENEYE NAME: N6-(6-isoquinolyl)-N2-(5-methyl-1H-pyrazol-3-yl)pyrazine-2,6-diamine
CAS Name: N6-(6-isoquinolinyl)-N2-(5-methyl-1H-pyrazol-3-yl)pyrazine-2,6-diamine
IUPAC NAME: 6-N-isoquinolin-6-yl-2-N-(5-methyl-1H-pyrazol-3-yl)pyrazine-2,6-diamine
SYSTEMATIC NAME: N6-isoquinolin-6-yl-N2-(5-methyl-1H-pyrazol-3-yl)pyrazine-2,6-diamine
MOLECULAR FORMULA: C17H15N7
MOLECULAR WEIGHT: 317.3479
SMILES: CC1=CC(=NN1)NC2=NC(=CN=C2)NC3=CC4=C(C=C3)C=NC=C4
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Product OPENEYE NAME: N2-(5-methyl-1H-pyrazol-3-yl)-N6-(3-pyridyl)pyrazine-2,6-diamine
CAS Name: N2-(5-methyl-1H-pyrazol-3-yl)-N6-(3-pyridinyl)pyrazine-2,6-diamine
IUPAC NAME: 2-N-(5-methyl-1H-pyrazol-3-yl)-6-N-pyridin-3-ylpyrazine-2,6-diamine
SYSTEMATIC NAME: N2-(5-methyl-1H-pyrazol-3-yl)-N6-pyridin-3-yl-pyrazine-2,6-diamine
MOLECULAR FORMULA: C13H13N7
MOLECULAR WEIGHT: 267.28922
SMILES: CC1=CC(=NN1)NC2=NC(=CN=C2)NC3=CN=CC=C3
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Product OPENEYE NAME: 6-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazin-2-yl]amino]tetralin-1-one
CAS Name: 6-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyrazinyl]amino]-3,4-dihydro-2H-naphthalen-1-one
IUPAC NAME: 6-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazin-2-yl]amino]-3,4-dihydro-2H-naphthalen-1-one
SYSTEMATIC NAME: 6-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazin-2-yl]amino]-3,4-dihydro-2H-naphthalen-1-one
MOLECULAR FORMULA: C18H18N6O
MOLECULAR WEIGHT: 334.37512
SMILES: CC1=CC(=NN1)NC2=NC(=CN=C2)NC3=CC4=C(C=C3)C(=O)CCC4
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Product OPENEYE NAME: N2-(5-methyl-1H-pyrazol-3-yl)-N6-(1,2,3,4-tetrahydroisoquinolin-6-yl)pyrazine-2,6-diamine
CAS Name: N2-(5-methyl-1H-pyrazol-3-yl)-N6-(1,2,3,4-tetrahydroisoquinolin-6-yl)pyrazine-2,6-diamine
IUPAC NAME: 2-N-(5-methyl-1H-pyrazol-3-yl)-6-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)pyrazine-2,6-diamine
SYSTEMATIC NAME: N2-(5-methyl-1H-pyrazol-3-yl)-N6-(1,2,3,4-tetrahydroisoquinolin-6-yl)pyrazine-2,6-diamine
MOLECULAR FORMULA: C17H19N7
MOLECULAR WEIGHT: 321.37966
SMILES: CC1=CC(=NN1)NC2=NC(=CN=C2)NC3=CC4=C(CNCC4)C=C3
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Product OPENEYE NAME: (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-tetrahydropyran-2-yl]methoxy]tetrahydropyran-3,4,5-triol
CAS Name: (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)-3-oxanyl]oxy]-2-oxanyl]methoxy]oxane-3,4,5-triol
IUPAC NAME: (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]methoxy]oxane-3,4,5-triol
SYSTEMATIC NAME: (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-6-[(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-4,5,6-tris(oxidanyl)oxan-3-yl]oxy-3,4,5-tris(oxidanyl)oxan-2-yl]methoxy]oxane-3,4,5-triol
MOLECULAR FORMULA: C18H32O16
MOLECULAR WEIGHT: 504.43708
SMILES: C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O)CO)O)O)O)O)O)O)O
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Product OPENEYE NAME: [5-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxo-ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] acetate; nicotinic acid
CAS Name: acetic acid [5-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] ester; 3-pyridinecarboxylic acid
IUPAC NAME: [5-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] acetate; pyridine-3-carboxylic acid
SYSTEMATIC NAME: [5-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxidanylidene-ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] ethanoate; pyridine-3-carboxylic acid
MOLECULAR FORMULA: C26H25FN2O5S
MOLECULAR WEIGHT: 496.550503
SMILES: CC(=O)OC1=CC2=C(S1)CCN(C2)C(C3=CC=CC=C3F)C(=O)C4CC4.C1=CC(=CN=C1)C(=O)O
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Product OPENEYE NAME: [5-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxo-ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] acetate nitrate
CAS Name: acetic acid [5-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] ester nitrate
IUPAC NAME: [5-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] acetate nitrate
SYSTEMATIC NAME: [5-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxidanylidene-ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] ethanoate nitrate
MOLECULAR FORMULA: C20H20FN2O6S-
MOLECULAR WEIGHT: 435.446003
SMILES: CC(=O)OC1=CC2=C(S1)CCN(C2)C(C3=CC=CC=C3F)C(=O)C4CC4.[N+](=O)([O-])[O-]
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Product OPENEYE NAME: copper 3,5-dibromo-2-hydroxy-benzoate
CAS Name: copper 3,5-dibromo-2-hydroxybenzoate
IUPAC NAME: copper 3,5-dibromo-2-hydroxybenzoate
SYSTEMATIC NAME: copper 3,5-bis(bromanyl)-2-oxidanyl-benzoate
MOLECULAR FORMULA: C14H6Br4CuO6
MOLECULAR WEIGHT: 653.35584
SMILES: C1=C(C=C(C(=C1Br)O)C(=O)[O-])Br.C1=C(C=C(C(=C1Br)O)C(=O)[O-])Br.[Cu+2]
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Product OPENEYE NAME: copper 3,5-ditert-butyl-2-oxido-benzoate
CAS Name: copper 3,5-ditert-butyl-2-oxidobenzoate
IUPAC NAME: copper 3,5-ditert-butyl-2-oxidobenzoate
SYSTEMATIC NAME: copper 3,5-ditert-butyl-2-oxidanidyl-benzoate
MOLECULAR FORMULA: C15H20CuO3
MOLECULAR WEIGHT: 311.8635
SMILES: CC(C)(C)C1=CC(=C(C(=C1)C(=O)[O-])[O-])C(C)(C)C.[Cu+2]
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MOLECULAR FORMULA: C44H49N5O7S
MOLECULAR WEIGHT: 791.95416
SMILES: COC1=CC2=C(C=C1)C(=CC(=N2)C3=CC=CC=C3)O[C@@H]4C[C@H]5C(=O)N[C@@]6(C[C@H]6/C=C\CCCCC[C@@H](C(=O)N5C4)NCC7=CC=CC=C7)C(=O)NS(=O)(=O)C8CC8
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MOLECULAR FORMULA: C43H47N5O7S
MOLECULAR WEIGHT: 777.92758
SMILES: COC1=CC2=C(C=C1)C(=CC(=N2)C3=CC=CC=C3)O[C@@H]4C[C@H]5C(=O)N[C@@]6(C[C@H]6/C=C\CCCCC[C@@H](C(=O)N5C4)NC7=CC=CC=C7)C(=O)NS(=O)(=O)C8CC8
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MOLECULAR FORMULA: C44H46F3N5O7S
MOLECULAR WEIGHT: 845.92555
SMILES: COC1=CC2=C(C=C1)C(=CC(=N2)C3=CC=CC=C3)O[C@@H]4C[C@H]5C(=O)N[C@@]6(C[C@H]6/C=C\CCCCC[C@@H](C(=O)N5C4)NC7=CC=CC(=C7)C(F)(F)F)C(=O)NS(=O)(=O)C8CC8
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Product OPENEYE NAME: N-[[2-chloro-4-(methylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide
CAS Name: N-[[2-chloro-4-(methylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)-4-indazolecarboxamide
IUPAC NAME: N-[[2-chloro-4-(methylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide
SYSTEMATIC NAME: N-[[2-chloranyl-4-(methylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide
MOLECULAR FORMULA: C22H18ClFN4O3S
MOLECULAR WEIGHT: 472.919723
SMILES: CNS(=O)(=O)C1=CC(=C(C=C1)CNC(=O)C2=C3C=NN(C3=CC=C2)C4=CC=C(C=C4)F)Cl
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