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

Systemtic Name: 2-[3-(2-methylpiperidin-1-yl)propylamino]-4-(2-methylpropylamino)-N-(phenylmethyl)pyrimidine-5-carboxamide Openeye Name: N-benzyl-4-(isobutylamino)-2-[3-(2-methyl-1-piperidyl)propylamino]pyrimidine-5-carboxamide CAS Name: 2-[3-(2-methyl-1-piperidinyl)propylamino]-4-(2-methylpropylamino)-N-(phenylmethyl)-5-pyrimidinecarboxamide IUPAC Name: N-benzyl-2-[3-(2-methylpiperidin-1-yl)propylamino]-4-(2-methylpropylamino)pyrimidine-5-carboxamide Traditional Name: N-benzyl-4-(isobutylamino)-2-[3-(2-methylpiperidino)propylamino]pyrimidine-5-carboxamide Formula: C25H38N6O MolecularWeight: 438.60882

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1CCCNC2=NC=C(C(=N2)NCC(C)C)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC1CCCCN1CCCNC2=NC=C(C(=N2)NCC(C)C)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C25H38N6O/c1-19(2)16-27-23-22(24(32)28-17-21-11-5-4-6-12-21)18-29-25(30-23)26-13-9-15-31-14-8-7-10-20(31)3/h4-6,11-12,18-20H,7-10,13-17H2,1-3H3,(H,28,32)(H2,26,27,29,30)