Product OPENEYE NAME: 5-butyl-2-cyclobutyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-3-carboxylic acid
CAS Name: 5-butyl-2-cyclobutyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3-pyrazolecarboxylic acid
IUPAC NAME: 5-butyl-2-cyclobutyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-3-carboxylic acid
SYSTEMATIC NAME: 5-butyl-2-cyclobutyl-4-[[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-3-carboxylic acid
MOLECULAR FORMULA: C26H28N6O2
MOLECULAR WEIGHT: 456.53952
SMILES: CCCCC1=NN(C(=C1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C(=O)O)C5CCC5
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Product OPENEYE NAME: 5-bromo-1-(1H-imidazol-2-yl)-2H-quinoxalin-6-amine
CAS Name: 5-bromo-1-(1H-imidazol-2-yl)-2H-quinoxalin-6-amine
IUPAC NAME: 5-bromo-1-(1H-imidazol-2-yl)-2H-quinoxalin-6-amine
SYSTEMATIC NAME: 5-bromanyl-1-(1H-imidazol-2-yl)-2H-quinoxalin-6-amine
MOLECULAR FORMULA: C11H10BrN5
MOLECULAR WEIGHT: 292.1346
SMILES: C1C=NC2=C(N1C3=NC=CN3)C=CC(=C2Br)N
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Product OPENEYE NAME: 2-(3-hydroxy-6-oxo-xanthen-9-yl)-4-[6-[2-[(4-methoxyphenyl)methyl-(2-pyridyl)amino]ethyl-methyl-amino]hexylcarbamoyl]benzoic acid
CAS Name: 2-(3-hydroxy-6-oxo-9-xanthenyl)-4-[[6-[2-[(4-methoxyphenyl)methyl-(2-pyridinyl)amino]ethyl-methylamino]hexylamino]-oxomethyl]benzoic acid
IUPAC NAME: 2-(3-hydroxy-6-oxoxanthen-9-yl)-4-[6-[2-[(4-methoxyphenyl)methyl-pyridin-2-ylamino]ethyl-methylamino]hexylcarbamoyl]benzoic acid
SYSTEMATIC NAME: 4-[6-[2-[(4-methoxyphenyl)methyl-pyridin-2-yl-amino]ethyl-methyl-amino]hexylcarbamoyl]-2-(3-oxidanyl-6-oxidanylidene-xanthen-9-yl)benzoic acid
MOLECULAR FORMULA: C43H44N4O7
MOLECULAR WEIGHT: 728.83206
SMILES: CN(CCCCCCNC(=O)C1=CC(=C(C=C1)C(=O)O)C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)O)CCN(CC5=CC=C(C=C5)OC)C6=CC=CC=N6
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Product OPENEYE NAME: 5-(dimethylamino)-N-[6-[2-[(4-methoxyphenyl)methyl-(2-pyridyl)amino]ethyl-methyl-amino]hexyl]naphthalene-1-sulfonamide
CAS Name: 5-(dimethylamino)-N-[6-[2-[(4-methoxyphenyl)methyl-(2-pyridinyl)amino]ethyl-methylamino]hexyl]-1-naphthalenesulfonamide
IUPAC NAME: 5-(dimethylamino)-N-[6-[2-[(4-methoxyphenyl)methyl-pyridin-2-ylamino]ethyl-methylamino]hexyl]naphthalene-1-sulfonamide
SYSTEMATIC NAME: 5-(dimethylamino)-N-[6-[2-[(4-methoxyphenyl)methyl-pyridin-2-yl-amino]ethyl-methyl-amino]hexyl]naphthalene-1-sulfonamide
MOLECULAR FORMULA: C34H45N5O3S
MOLECULAR WEIGHT: 603.8178
SMILES: CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NCCCCCCN(C)CCN(CC3=CC=C(C=C3)OC)C4=CC=CC=N4
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Product OPENEYE NAME: 2-methylbutyl 1,4,5,6-tetrahydropyrimidine-5-carboxylate chloride
CAS Name: 1,4,5,6-tetrahydropyrimidine-5-carboxylic acid 2-methylbutyl ester chloride
IUPAC NAME: 2-methylbutyl 1,4,5,6-tetrahydropyrimidine-5-carboxylate chloride
SYSTEMATIC NAME: 2-methylbutyl 1,4,5,6-tetrahydropyrimidine-5-carboxylate chloride
MOLECULAR FORMULA: C10H18ClN2O2-
MOLECULAR WEIGHT: 233.71512
SMILES: CCC(C)COC(=O)C1CNC=NC1.[Cl-]
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Product OPENEYE NAME: [(E)-3-methylpent-2-en-4-ynyl] 1,4,5,6-tetrahydropyrimidine-5-carboxylate chloride
CAS Name: 1,4,5,6-tetrahydropyrimidine-5-carboxylic acid [(E)-3-methylpent-2-en-4-ynyl] ester chloride
IUPAC NAME: [(E)-3-methylpent-2-en-4-ynyl] 1,4,5,6-tetrahydropyrimidine-5-carboxylate chloride
SYSTEMATIC NAME: [(E)-3-methylpent-2-en-4-ynyl] 1,4,5,6-tetrahydropyrimidine-5-carboxylate chloride
MOLECULAR FORMULA: C11H14ClN2O2-
MOLECULAR WEIGHT: 241.69406
SMILES: C/C(=C\COC(=O)C1CNC=NC1)/C#C.[Cl-]
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Product OPENEYE NAME: [(Z)-3-methylpent-2-en-4-ynyl] 1,4,5,6-tetrahydropyrimidine-5-carboxylate chloride
CAS Name: 1,4,5,6-tetrahydropyrimidine-5-carboxylic acid [(Z)-3-methylpent-2-en-4-ynyl] ester chloride
IUPAC NAME: [(Z)-3-methylpent-2-en-4-ynyl] 1,4,5,6-tetrahydropyrimidine-5-carboxylate chloride
SYSTEMATIC NAME: [(Z)-3-methylpent-2-en-4-ynyl] 1,4,5,6-tetrahydropyrimidine-5-carboxylate chloride
MOLECULAR FORMULA: C11H14ClN2O2-
MOLECULAR WEIGHT: 241.69406
SMILES: C/C(=C/COC(=O)C1CNC=NC1)/C#C.[Cl-]
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Product OPENEYE NAME: N-[5-[[5-[[5-[(3-amino-3-imino-propyl)carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]-4-[[4-[bis(2-chloroethyl)amino]benzoyl]amino]-1-methyl-imidazole-2-carboxamide
CAS Name: N-[5-[[[5-[[[5-[[(3-amino-3-iminopropyl)amino]-oxomethyl]-1-methyl-3-pyrrolyl]amino]-oxomethyl]-1-methyl-3-pyrrolyl]amino]-oxomethyl]-1-methyl-3-pyrrolyl]-4-[[[4-[bis(2-chloroethyl)amino]phenyl]-oxomethyl]amino]-1-methyl-2-imidazolecarboxamide
IUPAC NAME: N-[5-[[5-[[5-[(3-amino-3-iminopropyl)carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-4-[[4-[bis(2-chloroethyl)amino]benzoyl]amino]-1-methylimidazole-2-carboxamide
SYSTEMATIC NAME: N-[5-[[5-[[5-[(3-azanyl-3-azanylidene-propyl)carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]-4-[[4-[bis(2-chloroethyl)amino]phenyl]carbonylamino]-1-methyl-imidazole-2-carboxamide
MOLECULAR FORMULA: C37H43Cl2N13O5
MOLECULAR WEIGHT: 820.72742
SMILES: CN1C=C(C=C1C(=O)NCCC(=N)N)NC(=O)C2=CC(=CN2C)NC(=O)C3=CC(=CN3C)NC(=O)C4=NC(=CN4C)NC(=O)C5=CC=C(C=C5)N(CCCl)CCCl
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Product OPENEYE NAME: amino-[3-(2-chlorophenothiazin-10-yl)propyl]-dimethyl-ammonium; methanesulfonate
CAS Name: amino-[3-(2-chloro-10-phenothiazinyl)propyl]-dimethylammonium; methanesulfonate
IUPAC NAME: amino-[3-(2-chlorophenothiazin-10-yl)propyl]-dimethylazanium; methanesulfonate
SYSTEMATIC NAME: azanyl-[3-(2-chloranylphenothiazin-10-yl)propyl]-dimethyl-azanium; methanesulfonate
MOLECULAR FORMULA: C18H24ClN3O3S2
MOLECULAR WEIGHT: 429.98446
SMILES: C[N+](C)(CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl)N.CS(=O)(=O)[O-]
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Product OPENEYE NAME: amino-[3-(2-chlorophenothiazin-10-yl)propyl]-dimethyl-ammonium
CAS Name: amino-[3-(2-chloro-10-phenothiazinyl)propyl]-dimethylammonium
IUPAC NAME: amino-[3-(2-chlorophenothiazin-10-yl)propyl]-dimethylazanium
SYSTEMATIC NAME: azanyl-[3-(2-chloranylphenothiazin-10-yl)propyl]-dimethyl-azanium
MOLECULAR FORMULA: C17H21ClN3S+
MOLECULAR WEIGHT: 334.88674
SMILES: C[N+](C)(CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl)N
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Product OPENEYE NAME: 3-(2-methylbutyl)-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole; 2,2,2-trifluoroacetic acid
CAS Name: 3-(2-methylbutyl)-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole; 2,2,2-trifluoroacetic acid
IUPAC NAME: 3-(2-methylbutyl)-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole; 2,2,2-trifluoroacetic acid
SYSTEMATIC NAME: 3-(2-methylbutyl)-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole; 2,2,2-tris(fluoranyl)ethanoic acid
MOLECULAR FORMULA: C13H19F3N4O3
MOLECULAR WEIGHT: 336.31017
SMILES: CCC(C)CC1=NOC(=N1)C2CNC=NC2.C(=O)(C(F)(F)F)O
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Product OPENEYE NAME: [2-(2-chlorophenothiazin-10-yl)ethylamino]-trimethyl-ammonium iodide
CAS Name: [2-(2-chloro-10-phenothiazinyl)ethylamino]-trimethylammonium iodide
IUPAC NAME: [2-(2-chlorophenothiazin-10-yl)ethylamino]-trimethylazanium iodide
SYSTEMATIC NAME: [2-(2-chloranylphenothiazin-10-yl)ethylamino]-trimethyl-azanium iodide
MOLECULAR FORMULA: C17H21ClIN3S
MOLECULAR WEIGHT: 461.79121
SMILES: C[N+](C)(C)NCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl.[I-]
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Product OPENEYE NAME: [2-(2-chlorophenothiazin-10-yl)ethylamino]-trimethyl-ammonium
CAS Name: [2-(2-chloro-10-phenothiazinyl)ethylamino]-trimethylammonium
IUPAC NAME: [2-(2-chlorophenothiazin-10-yl)ethylamino]-trimethylazanium
SYSTEMATIC NAME: [2-(2-chloranylphenothiazin-10-yl)ethylamino]-trimethyl-azanium
MOLECULAR FORMULA: C17H21ClN3S+
MOLECULAR WEIGHT: 334.88674
SMILES: C[N+](C)(C)NCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl
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Product OPENEYE NAME: 2-(3-hydroxy-6-oxo-xanthen-9-yl)-5-[6-[2-[(4-methoxyphenyl)methyl-(2-pyridyl)amino]ethyl-methyl-amino]hexylcarbamoyl]benzoic acid
CAS Name: 2-(3-hydroxy-6-oxo-9-xanthenyl)-5-[[6-[2-[(4-methoxyphenyl)methyl-(2-pyridinyl)amino]ethyl-methylamino]hexylamino]-oxomethyl]benzoic acid
IUPAC NAME: 2-(3-hydroxy-6-oxoxanthen-9-yl)-5-[6-[2-[(4-methoxyphenyl)methyl-pyridin-2-ylamino]ethyl-methylamino]hexylcarbamoyl]benzoic acid
SYSTEMATIC NAME: 5-[6-[2-[(4-methoxyphenyl)methyl-pyridin-2-yl-amino]ethyl-methyl-amino]hexylcarbamoyl]-2-(3-oxidanyl-6-oxidanylidene-xanthen-9-yl)benzoic acid
MOLECULAR FORMULA: C43H44N4O7
MOLECULAR WEIGHT: 728.83206
SMILES: CN(CCCCCCNC(=O)C1=CC(=C(C=C1)C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)O)C(=O)O)CCN(CC5=CC=C(C=C5)OC)C6=CC=CC=N6
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Product OPENEYE NAME: 2-(3-hydroxy-6-oxo-xanthen-9-yl)-4-[2-[2-[(4-methoxyphenyl)methyl-(2-pyridyl)amino]ethyl-methyl-amino]ethylcarbamoyl]benzoic acid
CAS Name: 2-(3-hydroxy-6-oxo-9-xanthenyl)-4-[[2-[2-[(4-methoxyphenyl)methyl-(2-pyridinyl)amino]ethyl-methylamino]ethylamino]-oxomethyl]benzoic acid
IUPAC NAME: 2-(3-hydroxy-6-oxoxanthen-9-yl)-4-[2-[2-[(4-methoxyphenyl)methyl-pyridin-2-ylamino]ethyl-methylamino]ethylcarbamoyl]benzoic acid
SYSTEMATIC NAME: 4-[2-[2-[(4-methoxyphenyl)methyl-pyridin-2-yl-amino]ethyl-methyl-amino]ethylcarbamoyl]-2-(3-oxidanyl-6-oxidanylidene-xanthen-9-yl)benzoic acid
MOLECULAR FORMULA: C39H36N4O7
MOLECULAR WEIGHT: 672.72574
SMILES: CN(CCNC(=O)C1=CC(=C(C=C1)C(=O)O)C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)O)CCN(CC5=CC=C(C=C5)OC)C6=CC=CC=N6
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C75H117N27O19S4
MOLECULAR WEIGHT: 1829.16098
SMILES: CC[C@H](C)[C@H]1C(=O)N[C@@H](C(=O)N[C@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)NCC(=O)NCC(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N1)CCCN=C(N)N)CC(=O)O)CCSC)CCCN=C(N)N)CC2=CC=CC=C2)CC3=CNC=N3)NC(=O)[C@H](CCSC)N)C(=O)N[C@@H](CC4=CC=C(C=C4)O
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CAS Name:
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MOLECULAR FORMULA: C78H121N27O19S4
MOLECULAR WEIGHT: 1869.22484
SMILES: CC[C@H](C)[C@H]1C(=O)N[C@@H](C(=O)N[C@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N1)CCCN=C(N)N)CC(=O)O)CCSC)CCCN=C(N)N)CC3=CC=CC=C3)CC4=CNC=N4)NC(=O)[C@H](CCSC)N)C(=O)N[C@@H](CC5=CC
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MOLECULAR FORMULA: C75H115N27O19S3
MOLECULAR WEIGHT: 1795.0801
SMILES: CC[C@H](C)[C@@H]1C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)NCC(=O)NCC(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CCCN=C(N)N)CC(=O)O)CCCN=C(N)N)CC3=CC=CC=C3)CC4=CNC=N4)NC(=O)[C@H](CCSC)N)C(=O)N[C@@H](CC5=CC=C(C=C5)O
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Product OPENEYE NAME: 5-butyl-2-(2,2-dimethylpropyl)-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-3-carboxylic acid
CAS Name: 5-butyl-2-(2,2-dimethylpropyl)-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3-pyrazolecarboxylic acid
IUPAC NAME: 5-butyl-2-(2,2-dimethylpropyl)-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-3-carboxylic acid
SYSTEMATIC NAME: 5-butyl-2-(2,2-dimethylpropyl)-4-[[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-3-carboxylic acid
MOLECULAR FORMULA: C27H32N6O2
MOLECULAR WEIGHT: 472.58198
SMILES: CCCCC1=NN(C(=C1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C(=O)O)CC(C)(C)C
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Product OPENEYE NAME: (2E)-2-[carbamimidoyl(methyl)hydrazono]acetic acid
CAS Name: (2E)-2-[carbamimidoyl(methyl)hydrazinylidene]acetic acid
IUPAC NAME: (2E)-2-[carbamimidoyl(methyl)hydrazinylidene]acetic acid
SYSTEMATIC NAME: (2E)-2-[carbamimidoyl(methyl)hydrazinylidene]ethanoic acid
MOLECULAR FORMULA: C4H8N4O2
MOLECULAR WEIGHT: 144.13192
SMILES: CN(C(=N)N)/N=C/C(=O)O
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Product OPENEYE NAME: (1E)-4-(1-methoxyethyl)cyclohexene-1-carbaldehyde oxime
CAS Name: (1E)-4-(1-methoxyethyl)-1-cyclohexenecarboxaldehyde oxime
IUPAC NAME: (NE)-N-[[4-(1-methoxyethyl)cyclohexen-1-yl]methylidene]hydroxylamine
SYSTEMATIC NAME: (NE)-N-[[4-(1-methoxyethyl)cyclohexen-1-yl]methylidene]hydroxylamine
MOLECULAR FORMULA: C10H17NO2
MOLECULAR WEIGHT: 183.24748
SMILES: CC(C1CCC(=CC1)/C=N/O)OC
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Product OPENEYE NAME: (Z)-2-(5-chloro-1,2-benzoxazol-3-yl)-3-[2-[2-(1-piperidyl)ethoxy]phenyl]prop-2-enenitrile
CAS Name: (Z)-2-(5-chloro-1,2-benzoxazol-3-yl)-3-[2-[2-(1-piperidinyl)ethoxy]phenyl]-2-propenenitrile
IUPAC NAME: (Z)-2-(5-chloro-1,2-benzoxazol-3-yl)-3-[2-(2-piperidin-1-ylethoxy)phenyl]prop-2-enenitrile
SYSTEMATIC NAME: (Z)-2-(5-chloranyl-1,2-benzoxazol-3-yl)-3-[2-(2-piperidin-1-ylethoxy)phenyl]prop-2-enenitrile
MOLECULAR FORMULA: C23H22ClN3O2
MOLECULAR WEIGHT: 407.89268
SMILES: C1CCN(CC1)CCOC2=CC=CC=C2/C=C(\C#N)/C3=NOC4=C3C=C(C=C4)Cl
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Product OPENEYE NAME: (1E)-4-(2-hydroxy-1-methoxy-1-methyl-ethyl)cyclohexene-1-carbaldehyde oxime
CAS Name: (1E)-4-(1-hydroxy-2-methoxypropan-2-yl)-1-cyclohexenecarboxaldehyde oxime
IUPAC NAME: 2-[4-[(E)-hydroxyiminomethyl]cyclohex-3-en-1-yl]-2-methoxypropan-1-ol
SYSTEMATIC NAME: 2-[4-[(E)-hydroxyiminomethyl]cyclohex-3-en-1-yl]-2-methoxy-propan-1-ol
MOLECULAR FORMULA: C11H19NO3
MOLECULAR WEIGHT: 213.27346
SMILES: CC(CO)(C1CCC(=CC1)/C=N/O)OC
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