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

Systemtic Name: 1-methyl-9-(4-methylphenyl)-3-(2-oxidanylidenepropyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Openeye Name: 3-acetonyl-1-methyl-9-(p-tolyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione CAS Name: 1-methyl-9-(4-methylphenyl)-3-(2-oxopropyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione IUPAC Name: 1-methyl-9-(4-methylphenyl)-3-(2-oxopropyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Traditional Name: 3-acetonyl-1-methyl-9-(p-tolyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-quinone Formula: C19H21N5O3 MolecularWeight: 367.40174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2CCCN3C2=NC4=C3C(=O)N(C(=O)N4C)CC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)N2CCCN3C2=NC4=C3C(=O)N(C(=O)N4C)CC(=O)C

InChI

InChI=1S/C19H21N5O3/c1-12-5-7-14(8-6-12)22-9-4-10-23-15-16(20-18(22)23)21(3)19(27)24(17(15)26)11-13(2)25/h5-8H,4,9-11H2,1-3H3