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

Systemtic Name: 1,3-dimethyl-8-(2-methylphenoxy)-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-1,3-dimethyl-8-(2-methylphenoxy)purine-2,6-dione CAS Name: 1,3-dimethyl-8-(2-methylphenoxy)-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-1,3-dimethyl-8-(2-methylphenoxy)purine-2,6-dione Traditional Name: 7-benzyl-1,3-dimethyl-8-(2-methylphenoxy)xanthine Formula: C21H20N4O3 MolecularWeight: 376.4085

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OC2=NC3=C(N2CC4=CC=CC=C4)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC1=CC=CC=C1OC2=NC3=C(N2CC4=CC=CC=C4)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C21H20N4O3/c1-14-9-7-8-12-16(14)28-20-22-18-17(19(26)24(3)21(27)23(18)2)25(20)13-15-10-5-4-6-11-15/h4-12H,13H2,1-3H3