8-[(4-methoxyphenyl)amino]-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-[(4-methoxyphenyl)amino]-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-8-(4-methoxyanilino)-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(4-methoxyanilino)-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-8-(4-methoxyanilino)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-benzyl-1,3-dimethyl-8-(p-anisidino)xanthine Formula: C21H21N5O3 MolecularWeight: 391.42314

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NC3=CC=C(C=C3)OC)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NC3=CC=C(C=C3)OC)CC4=CC=CC=C4

InChI

InChI=1S/C21H21N5O3/c1-24-18-17(19(27)25(2)21(24)28)26(13-14-7-5-4-6-8-14)20(23-18)22-15-9-11-16(29-3)12-10-15/h4-12H,13H2,1-3H3,(H,22,23)