methyl 4-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]piperazine-1-carboxylate

Systemtic Name: methyl 4-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]piperazine-1-carboxylate Openeye Name: methyl 4-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]piperazine-1-carboxylate CAS Name: 4-[6-chloro-2-(1-imidazolyl)-4-pyrimidinyl]-2-[[2-(3,4-dimethoxyphenyl)ethylamino]-oxomethyl]-1-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 4-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]piperazine-1-carboxylate Traditional Name: 4-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-2-(homoveratrylcarbamoyl)piperazine-1-carboxylic acid methyl ester Formula: C24H28ClN7O5 MolecularWeight: 529.97602

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2CN(CCN2C(=O)OC)C3=CC(=NC(=N3)N4C=CN=C4)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2CN(CCN2C(=O)OC)C3=CC(=NC(=N3)N4C=CN=C4)Cl)OC

InChI

InChI=1S/C24H28ClN7O5/c1-35-18-5-4-16(12-19(18)36-2)6-7-27-22(33)17-14-30(10-11-32(17)24(34)37-3)21-13-20(25)28-23(29-21)31-9-8-26-15-31/h4-5,8-9,12-13,15,17H,6-7,10-11,14H2,1-3H3,(H,27,33)