Product OPENEYE NAME: 7-(4-bromo-2-fluoro-anilino)-N-methyl-5-oxo-2,3-dihydro-1H-indolizine-8-carboxamide
CAS Name: 7-(4-bromo-2-fluoroanilino)-N-methyl-5-oxo-2,3-dihydro-1H-indolizine-8-carboxamide
IUPAC NAME: 7-(4-bromo-2-fluoroanilino)-N-methyl-5-oxo-2,3-dihydro-1H-indolizine-8-carboxamide
SYSTEMATIC NAME: 7-[(4-bromanyl-2-fluoranyl-phenyl)amino]-N-methyl-5-oxidanylidene-2,3-dihydro-1H-indolizine-8-carboxamide
MOLECULAR FORMULA: C16H15BrFN3O2
MOLECULAR WEIGHT: 380.211603
SMILES: CNC(=O)C1=C2CCCN2C(=O)C=C1NC3=C(C=C(C=C3)Br)F
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Product OPENEYE NAME: 7-(4-bromo-2-fluoro-anilino)-N-(2-methoxyethyl)-5-oxo-2,3-dihydro-1H-indolizine-8-carboxamide
CAS Name: 7-(4-bromo-2-fluoroanilino)-N-(2-methoxyethyl)-5-oxo-2,3-dihydro-1H-indolizine-8-carboxamide
IUPAC NAME: 7-(4-bromo-2-fluoroanilino)-N-(2-methoxyethyl)-5-oxo-2,3-dihydro-1H-indolizine-8-carboxamide
SYSTEMATIC NAME: 7-[(4-bromanyl-2-fluoranyl-phenyl)amino]-N-(2-methoxyethyl)-5-oxidanylidene-2,3-dihydro-1H-indolizine-8-carboxamide
MOLECULAR FORMULA: C18H19BrFN3O3
MOLECULAR WEIGHT: 424.264163
SMILES: COCCNC(=O)C1=C2CCCN2C(=O)C=C1NC3=C(C=C(C=C3)Br)F
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Product OPENEYE NAME: (6R,7R)-7-[[(2E)-2-(5-amino-1,2,4-thiadiazol-3-ylidene)-2-nitroso-acetyl]amino]-3-(6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-4-ium-6-ylsulfanyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CAS Name: (6R,7R)-7-[[(2E)-2-(5-amino-1,2,4-thiadiazol-3-ylidene)-2-nitroso-1-oxoethyl]amino]-3-(6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-4-ium-6-ylthio)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
IUPAC NAME: (6R,7R)-7-[[(2E)-2-(5-amino-1,2,4-thiadiazol-3-ylidene)-2-nitrosoacetyl]amino]-3-(6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-4-ium-6-ylsulfanyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
SYSTEMATIC NAME: (6R,7R)-7-[[(2E)-2-(5-azanyl-1,2,4-thiadiazol-3-ylidene)-2-nitroso-ethanoyl]amino]-3-(6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-4-ium-6-ylsulfanyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
MOLECULAR FORMULA: C16H15N9O5S3
MOLECULAR WEIGHT: 509.5426
SMILES: C1C(C[N+]2=CN=CN21)SC3=C(N4[C@@H]([C@@H](C4=O)NC(=O)/C(=C/5\NSC(=N5)N)/N=O)SC3)C(=O)[O-]
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Product OPENEYE NAME: (6R,7R)-7-[[(2E)-2-(5-amino-1,2,4-thiadiazol-3-ylidene)-2-nitroso-acetyl]amino]-3-(6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-4-ium-6-ylsulfanyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CAS Name: (6R,7R)-7-[[(2E)-2-(5-amino-1,2,4-thiadiazol-3-ylidene)-2-nitroso-1-oxoethyl]amino]-3-(6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-4-ium-6-ylthio)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
IUPAC NAME: (6R,7R)-7-[[(2E)-2-(5-amino-1,2,4-thiadiazol-3-ylidene)-2-nitrosoacetyl]amino]-3-(6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-4-ium-6-ylsulfanyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SYSTEMATIC NAME: (6R,7R)-7-[[(2E)-2-(5-azanyl-1,2,4-thiadiazol-3-ylidene)-2-nitroso-ethanoyl]amino]-3-(6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-4-ium-6-ylsulfanyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
MOLECULAR FORMULA: C16H16N9O5S3+
MOLECULAR WEIGHT: 510.55054
SMILES: C1C(C[N+]2=CN=CN21)SC3=C(N4[C@@H]([C@@H](C4=O)NC(=O)/C(=C/5\NSC(=N5)N)/N=O)SC3)C(=O)O
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Product OPENEYE NAME: (6R,7R)-7-[[(2Z)-2-(2-aminothiazol-4-yl)-2-hydroxyimino-acetyl]amino]-3-(6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-4-ium-6-ylsulfanyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CAS Name: (6R,7R)-7-[[(2Z)-2-(2-amino-4-thiazolyl)-2-hydroxyimino-1-oxoethyl]amino]-3-(6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-4-ium-6-ylthio)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
IUPAC NAME: (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyiminoacetyl]amino]-3-(6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-4-ium-6-ylsulfanyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
SYSTEMATIC NAME: (6R,7R)-7-[[(2Z)-2-(2-azanyl-1,3-thiazol-4-yl)-2-hydroxyimino-ethanoyl]amino]-3-(6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-4-ium-6-ylsulfanyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
MOLECULAR FORMULA: C17H16N8O5S3
MOLECULAR WEIGHT: 508.55454
SMILES: C1C(C[N+]2=CN=CN21)SC3=C(N4[C@@H]([C@@H](C4=O)NC(=O)/C(=N\O)/C5=CSC(=N5)N)SC3)C(=O)[O-]
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Product OPENEYE NAME: (6R,7R)-7-[[(2Z)-2-(2-aminothiazol-4-yl)-2-hydroxyimino-acetyl]amino]-3-(6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-4-ium-6-ylsulfanyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CAS Name: (6R,7R)-7-[[(2Z)-2-(2-amino-4-thiazolyl)-2-hydroxyimino-1-oxoethyl]amino]-3-(6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-4-ium-6-ylthio)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
IUPAC NAME: (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyiminoacetyl]amino]-3-(6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-4-ium-6-ylsulfanyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SYSTEMATIC NAME: (6R,7R)-7-[[(2Z)-2-(2-azanyl-1,3-thiazol-4-yl)-2-hydroxyimino-ethanoyl]amino]-3-(6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-4-ium-6-ylsulfanyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
MOLECULAR FORMULA: C17H17N8O5S3+
MOLECULAR WEIGHT: 509.56248
SMILES: C1C(C[N+]2=CN=CN21)SC3=C(N4[C@@H]([C@@H](C4=O)NC(=O)/C(=N\O)/C5=CSC(=N5)N)SC3)C(=O)O
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Product OPENEYE NAME: (6R,7R)-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methoxyimino-acetyl]amino]-3-(6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-4-ium-6-ylsulfanyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CAS Name: (6R,7R)-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methoxyimino-1-oxoethyl]amino]-3-(6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-4-ium-6-ylthio)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
IUPAC NAME: (6R,7R)-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methoxyiminoacetyl]amino]-3-(6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-4-ium-6-ylsulfanyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
SYSTEMATIC NAME: (6R,7R)-7-[[(2Z)-2-(5-azanyl-1,2,4-thiadiazol-3-yl)-2-methoxyimino-ethanoyl]amino]-3-(6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-4-ium-6-ylsulfanyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
MOLECULAR FORMULA: C17H17N9O5S3
MOLECULAR WEIGHT: 523.56918
SMILES: CO/N=C(/C1=NSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)SC4CN5C=NC=[N+]5C4)C(=O)[O-]
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Product OPENEYE NAME: (6R,7R)-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methoxyimino-acetyl]amino]-3-(6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-4-ium-6-ylsulfanyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CAS Name: (6R,7R)-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methoxyimino-1-oxoethyl]amino]-3-(6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-4-ium-6-ylthio)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
IUPAC NAME: (6R,7R)-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methoxyiminoacetyl]amino]-3-(6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-4-ium-6-ylsulfanyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SYSTEMATIC NAME: (6R,7R)-7-[[(2Z)-2-(5-azanyl-1,2,4-thiadiazol-3-yl)-2-methoxyimino-ethanoyl]amino]-3-(6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-4-ium-6-ylsulfanyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
MOLECULAR FORMULA: C17H18N9O5S3+
MOLECULAR WEIGHT: 524.57712
SMILES: CO/N=C(/C1=NSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)SC4CN5C=NC=[N+]5C4)C(=O)O
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Product OPENEYE NAME: 1-(4-chlorophenyl)-4-[(1S,3S)-3-(5-phenyl-1H-pyrrol-2-yl)cyclopentyl]piperazine
CAS Name: 1-(4-chlorophenyl)-4-[(1S,3S)-3-(5-phenyl-1H-pyrrol-2-yl)cyclopentyl]piperazine
IUPAC NAME: 1-(4-chlorophenyl)-4-[(1S,3S)-3-(5-phenyl-1H-pyrrol-2-yl)cyclopentyl]piperazine
SYSTEMATIC NAME: 1-(4-chlorophenyl)-4-[(1S,3S)-3-(5-phenyl-1H-pyrrol-2-yl)cyclopentyl]piperazine
MOLECULAR FORMULA: C25H28ClN3
MOLECULAR WEIGHT: 405.96292
SMILES: C1C[C@@H](C[C@H]1C2=CC=C(N2)C3=CC=CC=C3)N4CCN(CC4)C5=CC=C(C=C5)Cl
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Product OPENEYE NAME: (4S)-4-amino-5-[[(1S)-2-[[(1S)-1-[[(1S)-1-carboxyethyl]carbamoyl]-3-methyl-butyl]amino]-1-methyl-2-oxo-ethyl]amino]-5-oxo-pentanoic acid
CAS Name: (4S)-4-amino-5-[[(2S)-1-[[(2S)-1-[[(1S)-1-carboxyethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
IUPAC NAME: (4S)-4-amino-5-[[(2S)-1-[[(2S)-1-[[(1S)-1-carboxyethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
SYSTEMATIC NAME: (4S)-4-azanyl-5-[[(2S)-1-[[(2S)-4-methyl-1-oxidanylidene-1-[[(2S)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid
MOLECULAR FORMULA: C17H30N4O7
MOLECULAR WEIGHT: 402.4427
SMILES: C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)O)NC(=O)[C@H](CCC(=O)O)N
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Product OPENEYE NAME: ethyl 4-(aminomethyl)-1-cyclohexyl-5-hydroxy-2-methyl-indole-3-carboxylate
CAS Name: 4-(aminomethyl)-1-cyclohexyl-5-hydroxy-2-methyl-3-indolecarboxylic acid ethyl ester
IUPAC NAME: ethyl 4-(aminomethyl)-1-cyclohexyl-5-hydroxy-2-methylindole-3-carboxylate
SYSTEMATIC NAME: ethyl 4-(aminomethyl)-1-cyclohexyl-2-methyl-5-oxidanyl-indole-3-carboxylate
MOLECULAR FORMULA: C19H26N2O3
MOLECULAR WEIGHT: 330.42134
SMILES: CCOC(=O)C1=C(N(C2=C1C(=C(C=C2)O)CN)C3CCCCC3)C
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Product OPENEYE NAME: 2-(1H-benzimidazole-2-carbonylamino)acetic acid
CAS Name: 2-[[1H-benzimidazol-2-yl(oxo)methyl]amino]acetic acid
IUPAC NAME: 2-(1H-benzimidazole-2-carbonylamino)acetic acid
SYSTEMATIC NAME: 2-(1H-benzimidazol-2-ylcarbonylamino)ethanoic acid
MOLECULAR FORMULA: C10H9N3O3
MOLECULAR WEIGHT: 219.19676
SMILES: C1=CC=C2C(=C1)NC(=N2)C(=O)NCC(=O)O
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Product OPENEYE NAME: 2-[(5,6-dichloro-1H-benzimidazole-2-carbonyl)amino]acetic acid
CAS Name: 2-[[(5,6-dichloro-1H-benzimidazol-2-yl)-oxomethyl]amino]acetic acid
IUPAC NAME: 2-[(5,6-dichloro-1H-benzimidazole-2-carbonyl)amino]acetic acid
SYSTEMATIC NAME: 2-[[5,6-bis(chloranyl)-1H-benzimidazol-2-yl]carbonylamino]ethanoic acid
MOLECULAR FORMULA: C10H7Cl2N3O3
MOLECULAR WEIGHT: 288.08688
SMILES: C1=C2C(=CC(=C1Cl)Cl)N=C(N2)C(=O)NCC(=O)O
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Product OPENEYE NAME: 2-[(6-nitro-1H-benzimidazole-2-carbonyl)amino]acetic acid
CAS Name: 2-[[(6-nitro-1H-benzimidazol-2-yl)-oxomethyl]amino]acetic acid
IUPAC NAME: 2-[(6-nitro-1H-benzimidazole-2-carbonyl)amino]acetic acid
SYSTEMATIC NAME: 2-[(6-nitro-1H-benzimidazol-2-yl)carbonylamino]ethanoic acid
MOLECULAR FORMULA: C10H8N4O5
MOLECULAR WEIGHT: 264.19432
SMILES: C1=CC2=C(C=C1[N+](=O)[O-])NC(=N2)C(=O)NCC(=O)O
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Product OPENEYE NAME: 2-[[4,6-bis(trifluoromethyl)-1H-benzimidazole-2-carbonyl]amino]acetic acid
CAS Name: 2-[[[4,6-bis(trifluoromethyl)-1H-benzimidazol-2-yl]-oxomethyl]amino]acetic acid
IUPAC NAME: 2-[[4,6-bis(trifluoromethyl)-1H-benzimidazole-2-carbonyl]amino]acetic acid
SYSTEMATIC NAME: 2-[[4,6-bis(trifluoromethyl)-1H-benzimidazol-2-yl]carbonylamino]ethanoic acid
MOLECULAR FORMULA: C12H7F6N3O3
MOLECULAR WEIGHT: 355.192699
SMILES: C1=C(C=C2C(=C1C(F)(F)F)N=C(N2)C(=O)NCC(=O)O)C(F)(F)F
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Product OPENEYE NAME: 2-[(6-iodo-1H-benzimidazole-2-carbonyl)amino]acetic acid
CAS Name: 2-[[(6-iodo-1H-benzimidazol-2-yl)-oxomethyl]amino]acetic acid
IUPAC NAME: 2-[(6-iodo-1H-benzimidazole-2-carbonyl)amino]acetic acid
SYSTEMATIC NAME: 2-[(6-iodanyl-1H-benzimidazol-2-yl)carbonylamino]ethanoic acid
MOLECULAR FORMULA: C10H8IN3O3
MOLECULAR WEIGHT: 345.09329
SMILES: C1=CC2=C(C=C1I)NC(=N2)C(=O)NCC(=O)O
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Product OPENEYE NAME: 2-[(6-bromo-1H-benzimidazole-2-carbonyl)amino]acetic acid
CAS Name: 2-[[(6-bromo-1H-benzimidazol-2-yl)-oxomethyl]amino]acetic acid
IUPAC NAME: 2-[(6-bromo-1H-benzimidazole-2-carbonyl)amino]acetic acid
SYSTEMATIC NAME: 2-[(6-bromanyl-1H-benzimidazol-2-yl)carbonylamino]ethanoic acid
MOLECULAR FORMULA: C10H8BrN3O3
MOLECULAR WEIGHT: 298.09282
SMILES: C1=CC2=C(C=C1Br)NC(=N2)C(=O)NCC(=O)O
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Product OPENEYE NAME: 2-[2-chloro-5-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazin-2-yl]amino]phenyl]propan-2-ol
CAS Name: 2-[2-chloro-5-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyrazinyl]amino]phenyl]-2-propanol
IUPAC NAME: 2-[2-chloro-5-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazin-2-yl]amino]phenyl]propan-2-ol
SYSTEMATIC NAME: 2-[2-chloranyl-5-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazin-2-yl]amino]phenyl]propan-2-ol
MOLECULAR FORMULA: C17H19ClN6O
MOLECULAR WEIGHT: 358.82536
SMILES: CC1=CC(=NN1)NC2=NC(=CN=C2)NC3=CC(=C(C=C3)Cl)C(C)(C)O
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Product OPENEYE NAME: methyl N-[2-isopropyl-5-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazin-2-yl]amino]phenyl]carbamate
CAS Name: N-[5-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyrazinyl]amino]-2-propan-2-ylphenyl]carbamic acid methyl ester
IUPAC NAME: methyl N-[5-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazin-2-yl]amino]-2-propan-2-ylphenyl]carbamate
SYSTEMATIC NAME: methyl N-[5-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazin-2-yl]amino]-2-propan-2-yl-phenyl]carbamate
MOLECULAR FORMULA: C19H23N7O2
MOLECULAR WEIGHT: 381.43162
SMILES: CC1=CC(=NN1)NC2=NC(=CN=C2)NC3=CC(=C(C=C3)C(C)C)NC(=O)OC
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