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

Systemtic Name: 9-(4-butylphenyl)-1-methyl-3-(2-methylpropyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Openeye Name: 9-(4-butylphenyl)-3-isobutyl-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione CAS Name: 9-(4-butylphenyl)-1-methyl-3-(2-methylpropyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione IUPAC Name: 9-(4-butylphenyl)-1-methyl-3-(2-methylpropyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Traditional Name: 9-(4-butylphenyl)-3-isobutyl-1-methyl-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:

CCCCC1=CC=C(C=C1)N2CCCN3C2=NC4=C3C(=O)N(C(=O)N4C)CC(C)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2CCCN3C2=NC4=C3C(=O)N(C(=O)N4C)CC(C)C

InChI

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