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

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-2-(4-methyl-3-oxidanylidene-piperazin-1-yl)-N-(4-oxidanylcyclohexyl)pyrimidine-5-carboxamide Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-N-(4-hydroxycyclohexyl)-2-(4-methyl-3-oxo-piperazin-1-yl)pyrimidine-5-carboxamide CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-N-(4-hydroxycyclohexyl)-2-(4-methyl-3-oxo-1-piperazinyl)-5-pyrimidinecarboxamide IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-N-(4-hydroxycyclohexyl)-2-(4-methyl-3-oxopiperazin-1-yl)pyrimidine-5-carboxamide Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-N-(4-hydroxycyclohexyl)-2-(3-keto-4-methyl-piperazino)pyrimidine-5-carboxamide Formula: C24H31ClN6O4 MolecularWeight: 502.99374

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1=O)C2=NC=C(C(=N2)NCC3=CC(=C(C=C3)OC)Cl)C(=O)NC4CCC(CC4)O

Isomeric SMILES

CN1CCN(CC1=O)C2=NC=C(C(=N2)NCC3=CC(=C(C=C3)OC)Cl)C(=O)NC4CCC(CC4)O

InChI

InChI=1S/C24H31ClN6O4/c1-30-9-10-31(14-21(30)33)24-27-13-18(23(34)28-16-4-6-17(32)7-5-16)22(29-24)26-12-15-3-8-20(35-2)19(25)11-15/h3,8,11,13,16-17,32H,4-7,9-10,12,14H2,1-2H3,(H,28,34)(H,26,27,29)