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

Systemtic Name: 9-(2,3-dimethylphenyl)-1-methyl-3-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Openeye Name: 9-(2,3-dimethylphenyl)-1-methyl-3-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione CAS Name: 9-(2,3-dimethylphenyl)-1-methyl-3-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione IUPAC Name: 9-(2,3-dimethylphenyl)-1-methyl-3-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Traditional Name: 9-(2,3-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=C(C(=CC=C1)N2CCCN3C2=NC4=C3C(=O)N(C(=O)N4C)CCC5=CC=CC=C5)C

Isomeric SMILES

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

InChI

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