7-[(1R)-1,2-bis(4-methylphenyl)-2-oxidanylidene-ethyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[(1R)-1,2-bis(4-methylphenyl)-2-oxidanylidene-ethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[(1R)-2-oxo-1,2-bis(p-tolyl)ethyl]purine-2,6-dione CAS Name: 7-[(1R)-1,2-bis(4-methylphenyl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(1R)-1,2-bis(4-methylphenyl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[(1R)-2-keto-1,2-bis(p-tolyl)ethyl]-1,3-dimethyl-xanthine Formula: C23H22N4O3 MolecularWeight: 402.44578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C(=O)C2=CC=C(C=C2)C)N3C=NC4=C3C(=O)N(C(=O)N4C)C

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](C(=O)C2=CC=C(C=C2)C)N3C=NC4=C3C(=O)N(C(=O)N4C)C

InChI

InChI=1S/C23H22N4O3/c1-14-5-9-16(10-6-14)18(20(28)17-11-7-15(2)8-12-17)27-13-24-21-19(27)22(29)26(4)23(30)25(21)3/h5-13,18H,1-4H3/t18-/m1/s1