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

Systemtic Name: 3-heptyl-1-methyl-9-(3-methylphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Openeye Name: 3-heptyl-1-methyl-9-(m-tolyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione CAS Name: 3-heptyl-1-methyl-9-(3-methylphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione IUPAC Name: 3-heptyl-1-methyl-9-(3-methylphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Traditional Name: 3-heptyl-1-methyl-9-(m-tolyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-quinone Formula: C23H31N5O2 MolecularWeight: 409.52454

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C(=O)C2=C(N=C3N2CCCN3C4=CC=CC(=C4)C)N(C1=O)C

Isomeric SMILES

CCCCCCCN1C(=O)C2=C(N=C3N2CCCN3C4=CC=CC(=C4)C)N(C1=O)C

InChI

InChI=1S/C23H31N5O2/c1-4-5-6-7-8-13-28-21(29)19-20(25(3)23(28)30)24-22-26(14-10-15-27(19)22)18-12-9-11-17(2)16-18/h9,11-12,16H,4-8,10,13-15H2,1-3H3