9-(3,5-dimethylphenyl)-1-methyl-3-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione

Systemtic Name: 9-(3,5-dimethylphenyl)-1-methyl-3-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Openeye Name: 9-(3,5-dimethylphenyl)-1-methyl-3-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione CAS Name: 9-(3,5-dimethylphenyl)-1-methyl-3-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione IUPAC Name: 9-(3,5-dimethylphenyl)-1-methyl-3-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Traditional Name: 9-(3,5-dimethylphenyl)-1-methyl-3-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-quinone Formula: C25H27N5O2 MolecularWeight: 429.51418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2CCCN3C2=NC4=C3C(=O)N(C(=O)N4C)CCC5=CC=CC=C5)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2CCCN3C2=NC4=C3C(=O)N(C(=O)N4C)CCC5=CC=CC=C5)C

InChI

InChI=1S/C25H27N5O2/c1-17-14-18(2)16-20(15-17)28-11-7-12-29-21-22(26-24(28)29)27(3)25(32)30(23(21)31)13-10-19-8-5-4-6-9-19/h4-6,8-9,14-16H,7,10-13H2,1-3H3