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

Systemtic Name: 1-methyl-9-(3-methylphenyl)-3-(3-phenylpropyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Openeye Name: 1-methyl-9-(m-tolyl)-3-(3-phenylpropyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione CAS Name: 1-methyl-9-(3-methylphenyl)-3-(3-phenylpropyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione IUPAC Name: 1-methyl-9-(3-methylphenyl)-3-(3-phenylpropyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Traditional Name: 1-methyl-9-(m-tolyl)-3-(3-phenylpropyl)-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)CCCC5=CC=CC=C5

Isomeric SMILES

CC1=CC(=CC=C1)N2CCCN3C2=NC4=C3C(=O)N(C(=O)N4C)CCCC5=CC=CC=C5

InChI

InChI=1S/C25H27N5O2/c1-18-9-6-13-20(17-18)28-15-8-16-29-21-22(26-24(28)29)27(2)25(32)30(23(21)31)14-7-12-19-10-4-3-5-11-19/h3-6,9-11,13,17H,7-8,12,14-16H2,1-2H3