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

Systemtic Name: 5-butyl-6-methyl-2-[(phenylmethyl)amino]-1H-pyrimidin-4-one Openeye Name: 2-(benzylamino)-5-butyl-6-methyl-1H-pyrimidin-4-one CAS Name: 5-butyl-6-methyl-2-[(phenylmethyl)amino]-1H-pyrimidin-4-one IUPAC Name: 2-(benzylamino)-5-butyl-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-(benzylamino)-5-butyl-6-methyl-1H-pyrimidin-4-one Formula: C16H21N3O MolecularWeight: 271.35744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(NC(=NC1=O)NCC2=CC=CC=C2)C

Isomeric SMILES

CCCCC1=C(NC(=NC1=O)NCC2=CC=CC=C2)C

InChI

InChI=1S/C16H21N3O/c1-3-4-10-14-12(2)18-16(19-15(14)20)17-11-13-8-6-5-7-9-13/h5-9H,3-4,10-11H2,1-2H3,(H2,17,18,19,20)