4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-2-(4-methanoylpiperazin-1-yl)-N-(4-oxidanylcyclohexyl)pyrimidine-5-carboxamide

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-2-(4-methanoylpiperazin-1-yl)-N-(4-oxidanylcyclohexyl)pyrimidine-5-carboxamide Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-2-(4-formylpiperazin-1-yl)-N-(4-hydroxycyclohexyl)pyrimidine-5-carboxamide CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-2-(4-formyl-1-piperazinyl)-N-(4-hydroxycyclohexyl)-5-pyrimidinecarboxamide IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-2-(4-formylpiperazin-1-yl)-N-(4-hydroxycyclohexyl)pyrimidine-5-carboxamide Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-2-(4-formylpiperazino)-N-(4-hydroxycyclohexyl)pyrimidine-5-carboxamide Formula: C24H31ClN6O4 MolecularWeight: 502.99374

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=NC(=NC=C2C(=O)NC3CCC(CC3)O)N4CCN(CC4)C=O)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NC(=NC=C2C(=O)NC3CCC(CC3)O)N4CCN(CC4)C=O)Cl

InChI

InChI=1S/C24H31ClN6O4/c1-35-21-7-2-16(12-20(21)25)13-26-22-19(23(34)28-17-3-5-18(33)6-4-17)14-27-24(29-22)31-10-8-30(15-32)9-11-31/h2,7,12,14-15,17-18,33H,3-6,8-11,13H2,1H3,(H,28,34)(H,26,27,29)