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

Systemtic Name: 9-(2-methoxy-5-methyl-phenyl)-1,7-dimethyl-3-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Openeye Name: 9-(2-methoxy-5-methyl-phenyl)-1,7-dimethyl-3-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione CAS Name: 9-(2-methoxy-5-methylphenyl)-1,7-dimethyl-3-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione IUPAC Name: 9-(2-methoxy-5-methylphenyl)-1,7-dimethyl-3-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Traditional Name: 9-(2-methoxy-5-methyl-phenyl)-1,7-dimethyl-3-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-quinone Formula: C26H29N5O3 MolecularWeight: 459.54016

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C2=NC3=C(N2C1)C(=O)N(C(=O)N3C)CCC4=CC=CC=C4)C5=C(C=CC(=C5)C)OC

Isomeric SMILES

CC1CN(C2=NC3=C(N2C1)C(=O)N(C(=O)N3C)CCC4=CC=CC=C4)C5=C(C=CC(=C5)C)OC

InChI

InChI=1S/C26H29N5O3/c1-17-10-11-21(34-4)20(14-17)30-15-18(2)16-31-22-23(27-25(30)31)28(3)26(33)29(24(22)32)13-12-19-8-6-5-7-9-19/h5-11,14,18H,12-13,15-16H2,1-4H3