8-(4-methoxyphenyl)-1-methyl-9-(phenylmethyl)-3H-purine-2,6-dione

Systemtic Name: 8-(4-methoxyphenyl)-1-methyl-9-(phenylmethyl)-3H-purine-2,6-dione Openeye Name: 9-benzyl-8-(4-methoxyphenyl)-1-methyl-3H-purine-2,6-dione CAS Name: 8-(4-methoxyphenyl)-1-methyl-9-(phenylmethyl)-3H-purine-2,6-dione IUPAC Name: 9-benzyl-8-(4-methoxyphenyl)-1-methyl-3H-purine-2,6-dione Traditional Name: 9-benzyl-8-(4-methoxyphenyl)-1-methyl-xanthine Formula: C20H18N4O3 MolecularWeight: 362.38192

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(NC1=O)N(C(=N2)C3=CC=C(C=C3)OC)CC4=CC=CC=C4

Isomeric SMILES

CN1C(=O)C2=C(NC1=O)N(C(=N2)C3=CC=C(C=C3)OC)CC4=CC=CC=C4

InChI

InChI=1S/C20H18N4O3/c1-23-19(25)16-18(22-20(23)26)24(12-13-6-4-3-5-7-13)17(21-16)14-8-10-15(27-2)11-9-14/h3-11H,12H2,1-2H3,(H,22,26)