5-heptyl-6-methyl-2-[(phenylmethyl)amino]-1H-pyrimidin-4-one

Systemtic Name: 5-heptyl-6-methyl-2-[(phenylmethyl)amino]-1H-pyrimidin-4-one Openeye Name: 2-(benzylamino)-5-heptyl-6-methyl-1H-pyrimidin-4-one CAS Name: 5-heptyl-6-methyl-2-[(phenylmethyl)amino]-1H-pyrimidin-4-one IUPAC Name: 2-(benzylamino)-5-heptyl-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-(benzylamino)-5-heptyl-6-methyl-1H-pyrimidin-4-one Formula: C19H27N3O MolecularWeight: 313.43718

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=C(NC(=NC1=O)NCC2=CC=CC=C2)C

Isomeric SMILES

CCCCCCCC1=C(NC(=NC1=O)NCC2=CC=CC=C2)C

InChI

InChI=1S/C19H27N3O/c1-3-4-5-6-10-13-17-15(2)21-19(22-18(17)23)20-14-16-11-8-7-9-12-16/h7-9,11-12H,3-6,10,13-14H2,1-2H3,(H2,20,21,22,23)