Product OPENEYE NAME: 6-amino-1-benzyl-5-[(5-chloro-1-methyl-imidazol-2-yl)methyl-(2-hydroxyethyl)amino]pyrimidine-2,4-dione
CAS Name: 6-amino-5-[(5-chloro-1-methyl-2-imidazolyl)methyl-(2-hydroxyethyl)amino]-1-(phenylmethyl)pyrimidine-2,4-dione
IUPAC NAME: 6-amino-1-benzyl-5-[(5-chloro-1-methylimidazol-2-yl)methyl-(2-hydroxyethyl)amino]pyrimidine-2,4-dione
SYSTEMATIC NAME: 6-azanyl-5-[(5-chloranyl-1-methyl-imidazol-2-yl)methyl-(2-hydroxyethyl)amino]-1-(phenylmethyl)pyrimidine-2,4-dione
MOLECULAR FORMULA: C18H21ClN6O3
MOLECULAR WEIGHT: 404.85074
SMILES: CN1C(=CN=C1CN(CCO)C2=C(N(C(=O)NC2=O)CC3=CC=CC=C3)N)Cl
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Product OPENEYE NAME: N-(2-cyanoethyl)-N-phenyl-2-[(3R)-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-ium-1-yl]acetamide
CAS Name: N-(2-cyanoethyl)-N-phenyl-2-[(3R)-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)-1-piperidin-1-iumyl]acetamide
IUPAC NAME: N-(2-cyanoethyl)-N-phenyl-2-[(3R)-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-ium-1-yl]acetamide
SYSTEMATIC NAME: N-(2-cyanoethyl)-N-phenyl-2-[(3R)-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-ium-1-yl]ethanamide
MOLECULAR FORMULA: C23H31N6O+
MOLECULAR WEIGHT: 407.53184
SMILES: C1CCC2=NN=C(N2CC1)[C@@H]3CCC[NH+](C3)CC(=O)N(CCC#N)C4=CC=CC=C4
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Product OPENEYE NAME: N-(2-cyanoethyl)-N-phenyl-2-[(3R)-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)-1-piperidyl]acetamide
CAS Name: N-(2-cyanoethyl)-N-phenyl-2-[(3R)-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)-1-piperidinyl]acetamide
IUPAC NAME: N-(2-cyanoethyl)-N-phenyl-2-[(3R)-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]acetamide
SYSTEMATIC NAME: N-(2-cyanoethyl)-N-phenyl-2-[(3R)-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]ethanamide
MOLECULAR FORMULA: C23H30N6O
MOLECULAR WEIGHT: 406.5239
SMILES: C1CCC2=NN=C(N2CC1)[C@@H]3CCCN(C3)CC(=O)N(CCC#N)C4=CC=CC=C4
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Product OPENEYE NAME: N-(2-cyanoethyl)-N-phenyl-2-[(3S)-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-ium-1-yl]acetamide
CAS Name: N-(2-cyanoethyl)-N-phenyl-2-[(3S)-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)-1-piperidin-1-iumyl]acetamide
IUPAC NAME: N-(2-cyanoethyl)-N-phenyl-2-[(3S)-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-ium-1-yl]acetamide
SYSTEMATIC NAME: N-(2-cyanoethyl)-N-phenyl-2-[(3S)-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-ium-1-yl]ethanamide
MOLECULAR FORMULA: C23H31N6O+
MOLECULAR WEIGHT: 407.53184
SMILES: C1CCC2=NN=C(N2CC1)[C@H]3CCC[NH+](C3)CC(=O)N(CCC#N)C4=CC=CC=C4
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Product OPENEYE NAME: N-(2-cyanoethyl)-N-phenyl-2-[(3S)-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)-1-piperidyl]acetamide
CAS Name: N-(2-cyanoethyl)-N-phenyl-2-[(3S)-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)-1-piperidinyl]acetamide
IUPAC NAME: N-(2-cyanoethyl)-N-phenyl-2-[(3S)-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]acetamide
SYSTEMATIC NAME: N-(2-cyanoethyl)-N-phenyl-2-[(3S)-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]ethanamide
MOLECULAR FORMULA: C23H30N6O
MOLECULAR WEIGHT: 406.5239
SMILES: C1CCC2=NN=C(N2CC1)[C@H]3CCCN(C3)CC(=O)N(CCC#N)C4=CC=CC=C4
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Product OPENEYE NAME: N-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-[(3R)-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-ium-1-yl]acetamide
CAS Name: N-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-[(3R)-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)-1-piperidin-1-iumyl]acetamide
IUPAC NAME: N-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-[(3R)-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-ium-1-yl]acetamide
SYSTEMATIC NAME: N-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-[(3R)-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-ium-1-yl]ethanamide
MOLECULAR FORMULA: C24H33N6OS+
MOLECULAR WEIGHT: 453.62342
SMILES: C[C@@H]1CCC2=C(C1)SC(=C2C#N)NC(=O)C[NH+]3CCC[C@H](C3)C4=NN=C5N4CCCCC5
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Product OPENEYE NAME: N-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-[(3R)-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)-1-piperidyl]acetamide
CAS Name: N-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-[(3R)-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)-1-piperidinyl]acetamide
IUPAC NAME: N-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-[(3R)-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]acetamide
SYSTEMATIC NAME: N-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-[(3R)-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]ethanamide
MOLECULAR FORMULA: C24H32N6OS
MOLECULAR WEIGHT: 452.61548
SMILES: C[C@@H]1CCC2=C(C1)SC(=C2C#N)NC(=O)CN3CCC[C@H](C3)C4=NN=C5N4CCCCC5
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Product OPENEYE NAME: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-[(3R)-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-ium-1-yl]acetamide
CAS Name: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-[(3R)-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)-1-piperidin-1-iumyl]acetamide
IUPAC NAME: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-[(3R)-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-ium-1-yl]acetamide
SYSTEMATIC NAME: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-[(3R)-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-ium-1-yl]ethanamide
MOLECULAR FORMULA: C24H33N6OS+
MOLECULAR WEIGHT: 453.62342
SMILES: C[C@H]1CCC2=C(C1)SC(=C2C#N)NC(=O)C[NH+]3CCC[C@H](C3)C4=NN=C5N4CCCCC5
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Product OPENEYE NAME: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-[(3R)-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)-1-piperidyl]acetamide
CAS Name: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-[(3R)-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)-1-piperidinyl]acetamide
IUPAC NAME: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-[(3R)-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]acetamide
SYSTEMATIC NAME: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-[(3R)-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]ethanamide
MOLECULAR FORMULA: C24H32N6OS
MOLECULAR WEIGHT: 452.61548
SMILES: C[C@H]1CCC2=C(C1)SC(=C2C#N)NC(=O)CN3CCC[C@H](C3)C4=NN=C5N4CCCCC5
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Product OPENEYE NAME: N-(isobutylcarbamoyl)-2-[(3R)-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-ium-1-yl]acetamide
CAS Name: N-[(2-methylpropylamino)-oxomethyl]-2-[(3R)-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)-1-piperidin-1-iumyl]acetamide
IUPAC NAME: N-(2-methylpropylcarbamoyl)-2-[(3R)-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-ium-1-yl]acetamide
SYSTEMATIC NAME: N-(2-methylpropylcarbamoyl)-2-[(3R)-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-ium-1-yl]ethanamide
MOLECULAR FORMULA: C19H33N6O2+
MOLECULAR WEIGHT: 377.50432
SMILES: CC(C)CNC(=O)NC(=O)C[NH+]1CCC[C@H](C1)C2=NN=C3N2CCCCC3
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Product OPENEYE NAME: N-(isobutylcarbamoyl)-2-[(3R)-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)-1-piperidyl]acetamide
CAS Name: N-[(2-methylpropylamino)-oxomethyl]-2-[(3R)-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)-1-piperidinyl]acetamide
IUPAC NAME: N-(2-methylpropylcarbamoyl)-2-[(3R)-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]acetamide
SYSTEMATIC NAME: N-(2-methylpropylcarbamoyl)-2-[(3R)-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]ethanamide
MOLECULAR FORMULA: C19H32N6O2
MOLECULAR WEIGHT: 376.49638
SMILES: CC(C)CNC(=O)NC(=O)CN1CCC[C@H](C1)C2=NN=C3N2CCCCC3
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Product OPENEYE NAME: N-(isobutylcarbamoyl)-2-[(3S)-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-ium-1-yl]acetamide
CAS Name: N-[(2-methylpropylamino)-oxomethyl]-2-[(3S)-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)-1-piperidin-1-iumyl]acetamide
IUPAC NAME: N-(2-methylpropylcarbamoyl)-2-[(3S)-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-ium-1-yl]acetamide
SYSTEMATIC NAME: N-(2-methylpropylcarbamoyl)-2-[(3S)-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-ium-1-yl]ethanamide
MOLECULAR FORMULA: C19H33N6O2+
MOLECULAR WEIGHT: 377.50432
SMILES: CC(C)CNC(=O)NC(=O)C[NH+]1CCC[C@@H](C1)C2=NN=C3N2CCCCC3
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Product OPENEYE NAME: N-(isobutylcarbamoyl)-2-[(3S)-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)-1-piperidyl]acetamide
CAS Name: N-[(2-methylpropylamino)-oxomethyl]-2-[(3S)-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)-1-piperidinyl]acetamide
IUPAC NAME: N-(2-methylpropylcarbamoyl)-2-[(3S)-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]acetamide
SYSTEMATIC NAME: N-(2-methylpropylcarbamoyl)-2-[(3S)-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]ethanamide
MOLECULAR FORMULA: C19H32N6O2
MOLECULAR WEIGHT: 376.49638
SMILES: CC(C)CNC(=O)NC(=O)CN1CCC[C@@H](C1)C2=NN=C3N2CCCCC3
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Product OPENEYE NAME: 6-amino-3-methyl-1-propyl-5-[2-[(3R)-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-ium-1-yl]acetyl]pyrimidine-2,4-dione
CAS Name: 6-amino-3-methyl-5-[1-oxo-2-[(3R)-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)-1-piperidin-1-iumyl]ethyl]-1-propylpyrimidine-2,4-dione
IUPAC NAME: 6-amino-3-methyl-1-propyl-5-[2-[(3R)-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-ium-1-yl]acetyl]pyrimidine-2,4-dione
SYSTEMATIC NAME: 6-azanyl-3-methyl-1-propyl-5-[2-[(3R)-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-ium-1-yl]ethanoyl]pyrimidine-2,4-dione
MOLECULAR FORMULA: C22H34N7O3+
MOLECULAR WEIGHT: 444.55046
SMILES: CCCN1C(=C(C(=O)N(C1=O)C)C(=O)C[NH+]2CCC[C@H](C2)C3=NN=C4N3CCCCC4)N
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Product OPENEYE NAME: 6-amino-3-methyl-1-propyl-5-[2-[(3R)-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)-1-piperidyl]acetyl]pyrimidine-2,4-dione
CAS Name: 6-amino-3-methyl-5-[1-oxo-2-[(3R)-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)-1-piperidinyl]ethyl]-1-propylpyrimidine-2,4-dione
IUPAC NAME: 6-amino-3-methyl-1-propyl-5-[2-[(3R)-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]acetyl]pyrimidine-2,4-dione
SYSTEMATIC NAME: 6-azanyl-3-methyl-1-propyl-5-[2-[(3R)-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]ethanoyl]pyrimidine-2,4-dione
MOLECULAR FORMULA: C22H33N7O3
MOLECULAR WEIGHT: 443.54252
SMILES: CCCN1C(=C(C(=O)N(C1=O)C)C(=O)CN2CCC[C@H](C2)C3=NN=C4N3CCCCC4)N
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Product OPENEYE NAME: 6-amino-3-methyl-1-propyl-5-[2-[(3S)-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-ium-1-yl]acetyl]pyrimidine-2,4-dione
CAS Name: 6-amino-3-methyl-5-[1-oxo-2-[(3S)-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)-1-piperidin-1-iumyl]ethyl]-1-propylpyrimidine-2,4-dione
IUPAC NAME: 6-amino-3-methyl-1-propyl-5-[2-[(3S)-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-ium-1-yl]acetyl]pyrimidine-2,4-dione
SYSTEMATIC NAME: 6-azanyl-3-methyl-1-propyl-5-[2-[(3S)-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-ium-1-yl]ethanoyl]pyrimidine-2,4-dione
MOLECULAR FORMULA: C22H34N7O3+
MOLECULAR WEIGHT: 444.55046
SMILES: CCCN1C(=C(C(=O)N(C1=O)C)C(=O)C[NH+]2CCC[C@@H](C2)C3=NN=C4N3CCCCC4)N
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