Product OPENEYE NAME: [(E)-1-amino-2-nitro-vinyl]-[(6-chloro-3-pyridyl)methyl]-ethyl-methyl-ammonium
CAS Name: [(E)-1-amino-2-nitroethenyl]-[(6-chloro-3-pyridinyl)methyl]-ethyl-methylammonium
IUPAC NAME: [(E)-1-amino-2-nitroethenyl]-[(6-chloropyridin-3-yl)methyl]-ethyl-methylazanium
SYSTEMATIC NAME: [(E)-1-azanyl-2-nitro-ethenyl]-[(6-chloranylpyridin-3-yl)methyl]-ethyl-methyl-azanium
MOLECULAR FORMULA: C11H16ClN4O2+
MOLECULAR WEIGHT: 271.72334
SMILES: CC[N+](C)(CC1=CN=C(C=C1)Cl)/C(=C/[N+](=O)[O-])/N
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Product OPENEYE NAME: [(E)-1-amino-2-nitro-vinyl]-[(4-chlorophenyl)methyl]-dimethyl-ammonium
CAS Name: [(E)-1-amino-2-nitroethenyl]-[(4-chlorophenyl)methyl]-dimethylammonium
IUPAC NAME: [(E)-1-amino-2-nitroethenyl]-[(4-chlorophenyl)methyl]-dimethylazanium
SYSTEMATIC NAME: [(E)-1-azanyl-2-nitro-ethenyl]-[(4-chlorophenyl)methyl]-dimethyl-azanium
MOLECULAR FORMULA: C11H15ClN3O2+
MOLECULAR WEIGHT: 256.7087
SMILES: C[N+](C)(CC1=CC=C(C=C1)Cl)/C(=C/[N+](=O)[O-])/N
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Product OPENEYE NAME: [(E)-1-amino-2-nitro-vinyl]-(6-chloro-3-pyridyl)-ethyl-methyl-ammonium
CAS Name: [(E)-1-amino-2-nitroethenyl]-(6-chloro-3-pyridinyl)-ethyl-methylammonium
IUPAC NAME: [(E)-1-amino-2-nitroethenyl]-(6-chloropyridin-3-yl)-ethyl-methylazanium
SYSTEMATIC NAME: [(E)-1-azanyl-2-nitro-ethenyl]-(6-chloranylpyridin-3-yl)-ethyl-methyl-azanium
MOLECULAR FORMULA: C10H14ClN4O2+
MOLECULAR WEIGHT: 257.69676
SMILES: CC[N+](C)(C1=CN=C(C=C1)Cl)/C(=C/[N+](=O)[O-])/N
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Product OPENEYE NAME: (2-bromothiazol-5-yl)methyl-ethyl-[(E)-1-formamido-2-nitro-vinyl]-methyl-ammonium
CAS Name: (2-bromo-5-thiazolyl)methyl-ethyl-[(E)-1-formamido-2-nitroethenyl]-methylammonium
IUPAC NAME: (2-bromo-1,3-thiazol-5-yl)methyl-ethyl-[(E)-1-formamido-2-nitroethenyl]-methylazanium
SYSTEMATIC NAME: (2-bromanyl-1,3-thiazol-5-yl)methyl-ethyl-[(E)-1-formamido-2-nitro-ethenyl]-methyl-azanium
MOLECULAR FORMULA: C10H14BrN4O3S+
MOLECULAR WEIGHT: 350.21216
SMILES: CC[N+](C)(CC1=CN=C(S1)Br)/C(=C/[N+](=O)[O-])/NC=O
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Product OPENEYE NAME: pyrazin-2-ylmethylthiourea
CAS Name: 2-pyrazinylmethylthiourea
IUPAC NAME: pyrazin-2-ylmethylthiourea
SYSTEMATIC NAME: 1-(pyrazin-2-ylmethyl)thiourea
MOLECULAR FORMULA: C6H8N4S
MOLECULAR WEIGHT: 168.21952
SMILES: C1=CN=C(C=N1)CNC(=S)N
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Product OPENEYE NAME: 2-(1-methyl-2H-pyridin-5-yl)ethanamine
CAS Name: 2-(1-methyl-2H-pyridin-5-yl)ethanamine
IUPAC NAME: 2-(1-methyl-2H-pyridin-5-yl)ethanamine
SYSTEMATIC NAME: 2-(1-methyl-2H-pyridin-5-yl)ethanamine
MOLECULAR FORMULA: C8H14N2
MOLECULAR WEIGHT: 138.21016
SMILES: CN1CC=CC(=C1)CCN
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Product OPENEYE NAME: 4,6-diamino-5-oxo-octane-1,4,8-tricarboxylic acid
CAS Name: 4,6-diamino-5-oxooctane-1,4,8-tricarboxylic acid
IUPAC NAME: 4,6-diamino-5-oxooctane-1,4,8-tricarboxylic acid
SYSTEMATIC NAME: 4,6-bis(azanyl)-5-oxidanylidene-octane-1,4,8-tricarboxylic acid
MOLECULAR FORMULA: C11H18N2O7
MOLECULAR WEIGHT: 290.26982
SMILES: C(CC(=O)O)CC(C(=O)C(CCC(=O)O)N)(C(=O)O)N
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Product OPENEYE NAME: 2-[[(2-amino-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]-benzoyl-amino]pentanedioic acid
CAS Name: 2-[[(2-amino-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]-benzoylamino]pentanedioic acid
IUPAC NAME: 2-[[(2-amino-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]-benzoylamino]pentanedioic acid
SYSTEMATIC NAME: 2-[[(2-azanyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]-(phenylcarbonyl)amino]pentanedioic acid
MOLECULAR FORMULA: C24H23N5O6
MOLECULAR WEIGHT: 477.46932
SMILES: C#CCN(CC1=CC2=C(C=C1)NC(=NC2=O)N)N(C(CCC(=O)O)C(=O)O)C(=O)C3=CC=CC=C3
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Product OPENEYE NAME: 4-amino-5-[benzoyl-[1-carboxy-4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]oxy-4-oxo-butyl]amino]-5-oxo-pentanoic acid
CAS Name: 4-amino-5-[benzoyl-[1-carboxy-4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]oxy-4-oxobutyl]amino]-5-oxopentanoic acid
IUPAC NAME: 4-amino-5-[benzoyl-[1-carboxy-4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]oxy-4-oxobutyl]amino]-5-oxopentanoic acid
SYSTEMATIC NAME: 4-azanyl-5-[[5-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]oxy-1-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]-(phenylcarbonyl)amino]-5-oxidanylidene-pentanoic acid
MOLECULAR FORMULA: C30H31N5O9
MOLECULAR WEIGHT: 605.59524
SMILES: CC1=NC(=O)C2=C(N1)C=CC(=C2)CN(CC#C)OC(=O)CCC(C(=O)O)N(C(=O)C3=CC=CC=C3)C(=O)C(CCC(=O)O)N
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Product OPENEYE NAME: 2,7-dimethyl-6-(methylaminomethyl)-1H-quinazolin-4-one
CAS Name: 2,7-dimethyl-6-(methylaminomethyl)-1H-quinazolin-4-one
IUPAC NAME: 2,7-dimethyl-6-(methylaminomethyl)-1H-quinazolin-4-one
SYSTEMATIC NAME: 2,7-dimethyl-6-(methylaminomethyl)-1H-quinazolin-4-one
MOLECULAR FORMULA: C12H15N3O
MOLECULAR WEIGHT: 217.267
SMILES: CC1=C(C=C2C(=C1)NC(=NC2=O)C)CNC
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Product OPENEYE NAME: 6-(1-bromoethyl)-2,7-dimethyl-1H-quinazolin-4-one
CAS Name: 6-(1-bromoethyl)-2,7-dimethyl-1H-quinazolin-4-one
IUPAC NAME: 6-(1-bromoethyl)-2,7-dimethyl-1H-quinazolin-4-one
SYSTEMATIC NAME: 6-(1-bromoethyl)-2,7-dimethyl-1H-quinazolin-4-one
MOLECULAR FORMULA: C12H13BrN2O
MOLECULAR WEIGHT: 281.14842
SMILES: CC1=C(C=C2C(=C1)NC(=NC2=O)C)C(C)Br
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Product OPENEYE NAME: 5-ethyl-1,3,3-trimethyl-pyrrolidin-2-one
CAS Name: 5-ethyl-1,3,3-trimethyl-2-pyrrolidinone
IUPAC NAME: 5-ethyl-1,3,3-trimethylpyrrolidin-2-one
SYSTEMATIC NAME: 5-ethyl-1,3,3-trimethyl-pyrrolidin-2-one
MOLECULAR FORMULA: C9H17NO
MOLECULAR WEIGHT: 155.23738
SMILES: CCC1CC(C(=O)N1C)(C)C
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Product OPENEYE NAME: 3-(1,3-dimethylbutyl)aziridin-2-one
CAS Name: 3-(4-methylpentan-2-yl)-2-aziridinone
IUPAC NAME: 3-(4-methylpentan-2-yl)aziridin-2-one
SYSTEMATIC NAME: 3-(4-methylpentan-2-yl)aziridin-2-one
MOLECULAR FORMULA: C8H15NO
MOLECULAR WEIGHT: 141.2108
SMILES: CC(C)CC(C)C1C(=O)N1
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Product OPENEYE NAME: 2-[4-but-2-ynoxy-1-(dimethylsulfamoyl)benzimidazol-2-yl]pyridine-3-carboxylic acid
CAS Name: 2-[4-but-2-ynoxy-1-(dimethylsulfamoyl)-2-benzimidazolyl]-3-pyridinecarboxylic acid
IUPAC NAME: 2-[4-but-2-ynoxy-1-(dimethylsulfamoyl)benzimidazol-2-yl]pyridine-3-carboxylic acid
SYSTEMATIC NAME: 2-[4-but-2-ynoxy-1-(dimethylsulfamoyl)benzimidazol-2-yl]pyridine-3-carboxylic acid
MOLECULAR FORMULA: C19H18N4O5S
MOLECULAR WEIGHT: 414.43502
SMILES: CC#CCOC1=CC=CC2=C1N=C(N2S(=O)(=O)N(C)C)C3=C(C=CC=N3)C(=O)O
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Product OPENEYE NAME: 1-[4-but-2-ynoxy-1-(dimethylsulfamoyl)benzimidazol-2-yl]-4H-quinoline-3-carboxylic acid
CAS Name: 1-[4-but-2-ynoxy-1-(dimethylsulfamoyl)-2-benzimidazolyl]-4H-quinoline-3-carboxylic acid
IUPAC NAME: 1-[4-but-2-ynoxy-1-(dimethylsulfamoyl)benzimidazol-2-yl]-4H-quinoline-3-carboxylic acid
SYSTEMATIC NAME: 1-[4-but-2-ynoxy-1-(dimethylsulfamoyl)benzimidazol-2-yl]-4H-quinoline-3-carboxylic acid
MOLECULAR FORMULA: C23H22N4O5S
MOLECULAR WEIGHT: 466.50958
SMILES: CC#CCOC1=CC=CC2=C1N=C(N2S(=O)(=O)N(C)C)N3C=C(CC4=CC=CC=C43)C(=O)O
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Product OPENEYE NAME: 2-[1-(dimethylsulfamoyl)-4-prop-2-ynoxy-benzimidazol-2-yl]-6-methyl-pyridine-3-carboxylic acid
CAS Name: 2-[1-(dimethylsulfamoyl)-4-prop-2-ynoxy-2-benzimidazolyl]-6-methyl-3-pyridinecarboxylic acid
IUPAC NAME: 2-[1-(dimethylsulfamoyl)-4-prop-2-ynoxybenzimidazol-2-yl]-6-methylpyridine-3-carboxylic acid
SYSTEMATIC NAME: 2-[1-(dimethylsulfamoyl)-4-prop-2-ynoxy-benzimidazol-2-yl]-6-methyl-pyridine-3-carboxylic acid
MOLECULAR FORMULA: C19H18N4O5S
MOLECULAR WEIGHT: 414.43502
SMILES: CC1=NC(=C(C=C1)C(=O)O)C2=NC3=C(N2S(=O)(=O)N(C)C)C=CC=C3OCC#C
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Product OPENEYE NAME: methyl 2-allyloxy-4-(1H-benzimidazol-2-yl)pyridine-3-carboxylate
CAS Name: 4-(1H-benzimidazol-2-yl)-2-prop-2-enoxy-3-pyridinecarboxylic acid methyl ester
IUPAC NAME: methyl 4-(1H-benzimidazol-2-yl)-2-prop-2-enoxypyridine-3-carboxylate
SYSTEMATIC NAME: methyl 4-(1H-benzimidazol-2-yl)-2-prop-2-enoxy-pyridine-3-carboxylate
MOLECULAR FORMULA: C17H15N3O3
MOLECULAR WEIGHT: 309.3193
SMILES: COC(=O)C1=C(C=CN=C1OCC=C)C2=NC3=CC=CC=C3N2
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Product OPENEYE NAME: 4-prop-2-ynoxybenzene-1,2-diamine
CAS Name: 4-prop-2-ynoxybenzene-1,2-diamine
IUPAC NAME: 4-prop-2-ynoxybenzene-1,2-diamine
SYSTEMATIC NAME: 4-prop-2-ynoxybenzene-1,2-diamine
MOLECULAR FORMULA: C9H10N2O
MOLECULAR WEIGHT: 162.1885
SMILES: C#CCOC1=CC(=C(C=C1)N)N
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