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

Systemtic Name: 2-[3-(2-methylpiperidin-1-yl)propylamino]-4-(phenethylamino)-N-(phenylmethyl)pyrimidine-5-carboxamide Openeye Name: N-benzyl-2-[3-(2-methyl-1-piperidyl)propylamino]-4-(phenethylamino)pyrimidine-5-carboxamide CAS Name: 2-[3-(2-methyl-1-piperidinyl)propylamino]-4-(phenethylamino)-N-(phenylmethyl)-5-pyrimidinecarboxamide IUPAC Name: N-benzyl-2-[3-(2-methylpiperidin-1-yl)propylamino]-4-(phenethylamino)pyrimidine-5-carboxamide Traditional Name: N-benzyl-2-[3-(2-methylpiperidino)propylamino]-4-(phenethylamino)pyrimidine-5-carboxamide Formula: C29H38N6O MolecularWeight: 486.65162

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1CCCNC2=NC=C(C(=N2)NCCC3=CC=CC=C3)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

CC1CCCCN1CCCNC2=NC=C(C(=N2)NCCC3=CC=CC=C3)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C29H38N6O/c1-23-11-8-9-19-35(23)20-10-17-31-29-33-22-26(28(36)32-21-25-14-6-3-7-15-25)27(34-29)30-18-16-24-12-4-2-5-13-24/h2-7,12-15,22-23H,8-11,16-21H2,1H3,(H,32,36)(H2,30,31,33,34)