1,3-dimethyl-8-[(4-phenylmethoxyphenyl)methyl]-7H-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-[(4-phenylmethoxyphenyl)methyl]-7H-purine-2,6-dione Openeye Name: 8-[(4-benzyloxyphenyl)methyl]-1,3-dimethyl-7H-purine-2,6-dione CAS Name: 1,3-dimethyl-8-[(4-phenylmethoxyphenyl)methyl]-7H-purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-[(4-phenylmethoxyphenyl)methyl]-7H-purine-2,6-dione Traditional Name: 8-(4-benzoxybenzyl)-1,3-dimethyl-7H-purine-2,6-quinone Formula: C21H20N4O3 MolecularWeight: 376.4085

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CC3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CC3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

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