1-methyl-3-(3-methylbutyl)-9-(phenylmethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione

Systemtic Name: 1-methyl-3-(3-methylbutyl)-9-(phenylmethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Openeye Name: 9-benzyl-3-isopentyl-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione CAS Name: 1-methyl-3-(3-methylbutyl)-9-(phenylmethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione IUPAC Name: 9-benzyl-1-methyl-3-(3-methylbutyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Traditional Name: 9-benzyl-3-isoamyl-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-quinone Formula: C21H27N5O2 MolecularWeight: 381.47138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=C(N=C3N2CCCN3CC4=CC=CC=C4)N(C1=O)C

Isomeric SMILES

CC(C)CCN1C(=O)C2=C(N=C3N2CCCN3CC4=CC=CC=C4)N(C1=O)C

InChI

InChI=1S/C21H27N5O2/c1-15(2)10-13-26-19(27)17-18(23(3)21(26)28)22-20-24(11-7-12-25(17)20)14-16-8-5-4-6-9-16/h4-6,8-9,15H,7,10-14H2,1-3H3