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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC2=NC3=C(N2C)C(=O)N(C(=O)N3C)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)OC2=NC3=C(N2C)C(=O)N(C(=O)N3C)CC4=CC=CC=C4

InChI

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