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

Systemtic Name: 9-(4-butylphenyl)-1,7-dimethyl-3-propyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Openeye Name: 9-(4-butylphenyl)-1,7-dimethyl-3-propyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione CAS Name: 9-(4-butylphenyl)-1,7-dimethyl-3-propyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione IUPAC Name: 9-(4-butylphenyl)-1,7-dimethyl-3-propyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Traditional Name: 9-(4-butylphenyl)-1,7-dimethyl-3-propyl-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)N2CC(CN3C2=NC4=C3C(=O)N(C(=O)N4C)CCC)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2CC(CN3C2=NC4=C3C(=O)N(C(=O)N4C)CCC)C

InChI

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