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

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

Isomeric SMILES

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

InChI

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