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

Systemtic Name: 1-methyl-9-(3-methylphenyl)-3-pentyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Openeye Name: 1-methyl-9-(m-tolyl)-3-pentyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione CAS Name: 1-methyl-9-(3-methylphenyl)-3-pentyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione IUPAC Name: 1-methyl-9-(3-methylphenyl)-3-pentyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Traditional Name: 3-amyl-1-methyl-9-(m-tolyl)-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:

CCCCCN1C(=O)C2=C(N=C3N2CCCN3C4=CC=CC(=C4)C)N(C1=O)C

Isomeric SMILES

CCCCCN1C(=O)C2=C(N=C3N2CCCN3C4=CC=CC(=C4)C)N(C1=O)C

InChI

InChI=1S/C21H27N5O2/c1-4-5-6-11-26-19(27)17-18(23(3)21(26)28)22-20-24(12-8-13-25(17)20)16-10-7-9-15(2)14-16/h7,9-10,14H,4-6,8,11-13H2,1-3H3