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

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

CCCCCCN1C(=O)C2=C(N=C3N2CC(CN3C4=CC=CC=C4C)C)N(C1=O)C

Isomeric SMILES

CCCCCCN1C(=O)C2=C(N=C3N2CC(CN3C4=CC=CC=C4C)C)N(C1=O)C

InChI

InChI=1S/C23H31N5O2/c1-5-6-7-10-13-26-21(29)19-20(25(4)23(26)30)24-22-27(14-16(2)15-28(19)22)18-12-9-8-11-17(18)3/h8-9,11-12,16H,5-7,10,13-15H2,1-4H3