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

Systemtic Name: 1-methyl-3-[(4-methylphenyl)methyl]-9-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Openeye Name: 1-methyl-9-phenethyl-3-(p-tolylmethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione CAS Name: 1-methyl-3-[(4-methylphenyl)methyl]-9-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione IUPAC Name: 1-methyl-3-[(4-methylphenyl)methyl]-9-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Traditional Name: 1-methyl-3-(4-methylbenzyl)-9-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=C(C=C1)CN2C(=O)C3=C(N=C4N3CCCN4CCC5=CC=CC=C5)N(C2=O)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=O)C3=C(N=C4N3CCCN4CCC5=CC=CC=C5)N(C2=O)C

InChI

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