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

Systemtic Name: 2-[3-(2-methylpiperidin-1-yl)propylamino]-N-(2-methylpropyl)-4-(phenethylamino)pyrimidine-5-carboxamide Openeye Name: N-isobutyl-2-[3-(2-methyl-1-piperidyl)propylamino]-4-(phenethylamino)pyrimidine-5-carboxamide CAS Name: 2-[3-(2-methyl-1-piperidinyl)propylamino]-N-(2-methylpropyl)-4-(phenethylamino)-5-pyrimidinecarboxamide IUPAC Name: 2-[3-(2-methylpiperidin-1-yl)propylamino]-N-(2-methylpropyl)-4-(phenethylamino)pyrimidine-5-carboxamide Traditional Name: N-isobutyl-2-[3-(2-methylpiperidino)propylamino]-4-(phenethylamino)pyrimidine-5-carboxamide Formula: C26H40N6O MolecularWeight: 452.6354

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1CCCNC2=NC=C(C(=N2)NCCC3=CC=CC=C3)C(=O)NCC(C)C

Isomeric SMILES

CC1CCCCN1CCCNC2=NC=C(C(=N2)NCCC3=CC=CC=C3)C(=O)NCC(C)C

InChI

InChI=1S/C26H40N6O/c1-20(2)18-29-25(33)23-19-30-26(28-14-9-17-32-16-8-7-10-21(32)3)31-24(23)27-15-13-22-11-5-4-6-12-22/h4-6,11-12,19-21H,7-10,13-18H2,1-3H3,(H,29,33)(H2,27,28,30,31)