3,8-dimethyl-1,7-bis(phenylmethyl)purine-2,6-dione

Systemtic Name: 3,8-dimethyl-1,7-bis(phenylmethyl)purine-2,6-dione Openeye Name: 1,7-dibenzyl-3,8-dimethyl-purine-2,6-dione CAS Name: 3,8-dimethyl-1,7-bis(phenylmethyl)purine-2,6-dione IUPAC Name: 1,7-dibenzyl-3,8-dimethylpurine-2,6-dione Traditional Name: 1,7-dibenzyl-3,8-dimethyl-xanthine Formula: C21H20N4O2 MolecularWeight: 360.4091

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=O)N2C)CC4=CC=CC=C4

Isomeric SMILES

CC1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=O)N2C)CC4=CC=CC=C4

InChI

InChI=1S/C21H20N4O2/c1-15-22-19-18(24(15)13-16-9-5-3-6-10-16)20(26)25(21(27)23(19)2)14-17-11-7-4-8-12-17/h3-12H,13-14H2,1-2H3