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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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