9-(2-methoxy-5-methyl-phenyl)-1-methyl-3-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione

Systemtic Name: 9-(2-methoxy-5-methyl-phenyl)-1-methyl-3-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Openeye Name: 9-(2-methoxy-5-methyl-phenyl)-1-methyl-3-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione CAS Name: 9-(2-methoxy-5-methylphenyl)-1-methyl-3-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione IUPAC Name: 9-(2-methoxy-5-methylphenyl)-1-methyl-3-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Traditional Name: 9-(2-methoxy-5-methyl-phenyl)-1-methyl-3-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-quinone Formula: C25H27N5O3 MolecularWeight: 445.51358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27N5O3/c1-17-10-11-20(33-3)19(16-17)28-13-7-14-29-21-22(26-24(28)29)27(2)25(32)30(23(21)31)15-12-18-8-5-4-6-9-18/h4-6,8-11,16H,7,12-15H2,1-3H3