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

Systemtic Name: 1,7-dimethyl-9-(3-methylphenyl)-3-nonyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Openeye Name: 1,7-dimethyl-9-(m-tolyl)-3-nonyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione CAS Name: 1,7-dimethyl-9-(3-methylphenyl)-3-nonyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione IUPAC Name: 1,7-dimethyl-9-(3-methylphenyl)-3-nonyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Traditional Name: 1,7-dimethyl-9-(m-tolyl)-3-nonyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-quinone Formula: C26H37N5O2 MolecularWeight: 451.60428

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCN1C(=O)C2=C(N=C3N2CC(CN3C4=CC=CC(=C4)C)C)N(C1=O)C

Isomeric SMILES

CCCCCCCCCN1C(=O)C2=C(N=C3N2CC(CN3C4=CC=CC(=C4)C)C)N(C1=O)C

InChI

InChI=1S/C26H37N5O2/c1-5-6-7-8-9-10-11-15-29-24(32)22-23(28(4)26(29)33)27-25-30(17-20(3)18-31(22)25)21-14-12-13-19(2)16-21/h12-14,16,20H,5-11,15,17-18H2,1-4H3