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

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-2-(2-iodanyl-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-(2-iodo-4-methyl-3-oxo-piperazin-1-yl)pyrimidine-5-carboxamide CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-N-(4-hydroxycyclohexyl)-2-(2-iodo-4-methyl-3-oxo-1-piperazinyl)-5-pyrimidinecarboxamide IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-N-(4-hydroxycyclohexyl)-2-(2-iodo-4-methyl-3-oxopiperazin-1-yl)pyrimidine-5-carboxamide Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-N-(4-hydroxycyclohexyl)-2-(2-iodo-3-keto-4-methyl-piperazino)pyrimidine-5-carboxamide Formula: C24H30ClIN6O4 MolecularWeight: 628.89027

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(C(C1=O)I)C2=NC=C(C(=N2)NCC3=CC(=C(C=C3)OC)Cl)C(=O)NC4CCC(CC4)O

Isomeric SMILES

CN1CCN(C(C1=O)I)C2=NC=C(C(=N2)NCC3=CC(=C(C=C3)OC)Cl)C(=O)NC4CCC(CC4)O

InChI

InChI=1S/C24H30ClIN6O4/c1-31-9-10-32(20(26)23(31)35)24-28-13-17(22(34)29-15-4-6-16(33)7-5-15)21(30-24)27-12-14-3-8-19(36-2)18(25)11-14/h3,8,11,13,15-16,20,33H,4-7,9-10,12H2,1-2H3,(H,29,34)(H,27,28,30)