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

Systemtic Name: 3-heptyl-1,7-dimethyl-9-(3-methylphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Openeye Name: 3-heptyl-1,7-dimethyl-9-(m-tolyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione CAS Name: 3-heptyl-1,7-dimethyl-9-(3-methylphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione IUPAC Name: 3-heptyl-1,7-dimethyl-9-(3-methylphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Traditional Name: 3-heptyl-1,7-dimethyl-9-(m-tolyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-quinone Formula: C24H33N5O2 MolecularWeight: 423.55112

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C(=O)C2=C(N=C3N2CC(CN3C4=CC=CC(=C4)C)C)N(C1=O)C

Isomeric SMILES

CCCCCCCN1C(=O)C2=C(N=C3N2CC(CN3C4=CC=CC(=C4)C)C)N(C1=O)C

InChI

InChI=1S/C24H33N5O2/c1-5-6-7-8-9-13-27-22(30)20-21(26(4)24(27)31)25-23-28(15-18(3)16-29(20)23)19-12-10-11-17(2)14-19/h10-12,14,18H,5-9,13,15-16H2,1-4H3