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

Systemtic Name: 1-methyl-9-(2-methylphenyl)-3-(2-methylprop-2-enyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Openeye Name: 1-methyl-3-(2-methylallyl)-9-(o-tolyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione CAS Name: 1-methyl-9-(2-methylphenyl)-3-(2-methylprop-2-enyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione IUPAC Name: 1-methyl-9-(2-methylphenyl)-3-(2-methylprop-2-enyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Traditional Name: 1-methyl-3-(2-methylallyl)-9-(o-tolyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-quinone Formula: C20H23N5O2 MolecularWeight: 365.42892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCCN3C2=NC4=C3C(=O)N(C(=O)N4C)CC(=C)C

Isomeric SMILES

CC1=CC=CC=C1N2CCCN3C2=NC4=C3C(=O)N(C(=O)N4C)CC(=C)C

InChI

InChI=1S/C20H23N5O2/c1-13(2)12-25-18(26)16-17(22(4)20(25)27)21-19-23(10-7-11-24(16)19)15-9-6-5-8-14(15)3/h5-6,8-9H,1,7,10-12H2,2-4H3