2-[4-azanylbutyl(phenethyl)amino]-3-methyl-6-pyridin-4-yl-pyrimidin-4-one

Systemtic Name: 2-[4-azanylbutyl(phenethyl)amino]-3-methyl-6-pyridin-4-yl-pyrimidin-4-one Openeye Name: 2-[4-aminobutyl(phenethyl)amino]-3-methyl-6-(4-pyridyl)pyrimidin-4-one CAS Name: 2-[4-aminobutyl(phenethyl)amino]-3-methyl-6-pyridin-4-yl-4-pyrimidinone IUPAC Name: 2-[4-aminobutyl(phenethyl)amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one Traditional Name: 2-[4-aminobutyl(phenethyl)amino]-3-methyl-6-(4-pyridyl)pyrimidin-4-one Formula: C22H27N5O MolecularWeight: 377.48268

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C=C(N=C1N(CCCCN)CCC2=CC=CC=C2)C3=CC=NC=C3

Isomeric SMILES

CN1C(=O)C=C(N=C1N(CCCCN)CCC2=CC=CC=C2)C3=CC=NC=C3

InChI

InChI=1S/C22H27N5O/c1-26-21(28)17-20(19-9-13-24-14-10-19)25-22(26)27(15-6-5-12-23)16-11-18-7-3-2-4-8-18/h2-4,7-10,13-14,17H,5-6,11-12,15-16,23H2,1H3