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

Systemtic Name: 3-butyl-1,7-dimethyl-9-(2-methylphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Openeye Name: 3-butyl-1,7-dimethyl-9-(o-tolyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione CAS Name: 3-butyl-1,7-dimethyl-9-(2-methylphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione IUPAC Name: 3-butyl-1,7-dimethyl-9-(2-methylphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Traditional Name: 3-butyl-1,7-dimethyl-9-(o-tolyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-quinone Formula: C21H27N5O2 MolecularWeight: 381.47138

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(N=C3N2CC(CN3C4=CC=CC=C4C)C)N(C1=O)C

Isomeric SMILES

CCCCN1C(=O)C2=C(N=C3N2CC(CN3C4=CC=CC=C4C)C)N(C1=O)C

InChI

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