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

Systemtic Name: 2-[3-(2-methylpiperidin-1-yl)propylamino]-4-(oxolan-2-ylmethylamino)-N-phenethyl-pyrimidine-5-carboxamide Openeye Name: 2-[3-(2-methyl-1-piperidyl)propylamino]-N-phenethyl-4-(tetrahydrofuran-2-ylmethylamino)pyrimidine-5-carboxamide CAS Name: 2-[3-(2-methyl-1-piperidinyl)propylamino]-4-(2-oxolanylmethylamino)-N-phenethyl-5-pyrimidinecarboxamide IUPAC Name: 2-[3-(2-methylpiperidin-1-yl)propylamino]-4-(oxolan-2-ylmethylamino)-N-phenethylpyrimidine-5-carboxamide Traditional Name: 2-[3-(2-methylpiperidino)propylamino]-N-phenethyl-4-(tetrahydrofurfurylamino)pyrimidine-5-carboxamide Formula: C27H40N6O2 MolecularWeight: 480.6455

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1CCCNC2=NC=C(C(=N2)NCC3CCCO3)C(=O)NCCC4=CC=CC=C4

Isomeric SMILES

CC1CCCCN1CCCNC2=NC=C(C(=N2)NCC3CCCO3)C(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C27H40N6O2/c1-21-9-5-6-16-33(21)17-8-14-29-27-31-20-24(25(32-27)30-19-23-12-7-18-35-23)26(34)28-15-13-22-10-3-2-4-11-22/h2-4,10-11,20-21,23H,5-9,12-19H2,1H3,(H,28,34)(H2,29,30,31,32)