1,3-dimethyl-7-[phenyl(phenylmethoxy)methyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[phenyl(phenylmethoxy)methyl]purine-2,6-dione Openeye Name: 7-[benzyloxy(phenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 1,3-dimethyl-7-[phenyl(phenylmethoxy)methyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[phenyl(phenylmethoxy)methyl]purine-2,6-dione Traditional Name: 7-[benzoxy(phenyl)methyl]-1,3-dimethyl-xanthine Formula: C21H20N4O3 MolecularWeight: 376.4085

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)C(C3=CC=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)C(C3=CC=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C21H20N4O3/c1-23-18-17(19(26)24(2)21(23)27)25(14-22-18)20(16-11-7-4-8-12-16)28-13-15-9-5-3-6-10-15/h3-12,14,20H,13H2,1-2H3