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

Systemtic Name: 1,7-dimethyl-9-(3-methylphenyl)-3-octyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Openeye Name: 1,7-dimethyl-9-(m-tolyl)-3-octyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione CAS Name: 1,7-dimethyl-9-(3-methylphenyl)-3-octyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione IUPAC Name: 1,7-dimethyl-9-(3-methylphenyl)-3-octyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Traditional Name: 1,7-dimethyl-9-(m-tolyl)-3-octyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-quinone Formula: C25H35N5O2 MolecularWeight: 437.5777

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=O)C2=C(N=C3N2CC(CN3C4=CC=CC(=C4)C)C)N(C1=O)C

Isomeric SMILES

CCCCCCCCN1C(=O)C2=C(N=C3N2CC(CN3C4=CC=CC(=C4)C)C)N(C1=O)C

InChI

InChI=1S/C25H35N5O2/c1-5-6-7-8-9-10-14-28-23(31)21-22(27(4)25(28)32)26-24-29(16-19(3)17-30(21)24)20-13-11-12-18(2)15-20/h11-13,15,19H,5-10,14,16-17H2,1-4H3