6-methyl-5-(3-methylbutyl)-2-[(phenylmethyl)amino]-1H-pyrimidin-4-one

Systemtic Name: 6-methyl-5-(3-methylbutyl)-2-[(phenylmethyl)amino]-1H-pyrimidin-4-one Openeye Name: 2-(benzylamino)-5-isopentyl-6-methyl-1H-pyrimidin-4-one CAS Name: 6-methyl-5-(3-methylbutyl)-2-[(phenylmethyl)amino]-1H-pyrimidin-4-one IUPAC Name: 2-(benzylamino)-6-methyl-5-(3-methylbutyl)-1H-pyrimidin-4-one Traditional Name: 2-(benzylamino)-5-isoamyl-6-methyl-1H-pyrimidin-4-one Formula: C17H23N3O MolecularWeight: 285.38402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)NCC2=CC=CC=C2)CCC(C)C

Isomeric SMILES

CC1=C(C(=O)N=C(N1)NCC2=CC=CC=C2)CCC(C)C

InChI

InChI=1S/C17H23N3O/c1-12(2)9-10-15-13(3)19-17(20-16(15)21)18-11-14-7-5-4-6-8-14/h4-8,12H,9-11H2,1-3H3,(H2,18,19,20,21)