4-(cyclohexylmethylamino)-2-[3-(2-methylpiperidin-1-yl)propylamino]-N-(phenylmethyl)pyrimidine-5-carboxamide

Systemtic Name: 4-(cyclohexylmethylamino)-2-[3-(2-methylpiperidin-1-yl)propylamino]-N-(phenylmethyl)pyrimidine-5-carboxamide Openeye Name: N-benzyl-4-(cyclohexylmethylamino)-2-[3-(2-methyl-1-piperidyl)propylamino]pyrimidine-5-carboxamide CAS Name: 4-(cyclohexylmethylamino)-2-[3-(2-methyl-1-piperidinyl)propylamino]-N-(phenylmethyl)-5-pyrimidinecarboxamide IUPAC Name: N-benzyl-4-(cyclohexylmethylamino)-2-[3-(2-methylpiperidin-1-yl)propylamino]pyrimidine-5-carboxamide Traditional Name: N-benzyl-4-(cyclohexylmethylamino)-2-[3-(2-methylpiperidino)propylamino]pyrimidine-5-carboxamide Formula: C28H42N6O MolecularWeight: 478.67268

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1CCCNC2=NC=C(C(=N2)NCC3CCCCC3)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

CC1CCCCN1CCCNC2=NC=C(C(=N2)NCC3CCCCC3)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C28H42N6O/c1-22-11-8-9-17-34(22)18-10-16-29-28-32-21-25(27(35)31-20-24-14-6-3-7-15-24)26(33-28)30-19-23-12-4-2-5-13-23/h3,6-7,14-15,21-23H,2,4-5,8-13,16-20H2,1H3,(H,31,35)(H2,29,30,32,33)