9-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]-1-methyl-3H-purine-2,6-dione

Systemtic Name: 9-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]-1-methyl-3H-purine-2,6-dione Openeye Name: 9-[2-(4-methoxyphenyl)-2-oxo-ethyl]-1-methyl-3H-purine-2,6-dione CAS Name: 9-[2-(4-methoxyphenyl)-2-oxoethyl]-1-methyl-3H-purine-2,6-dione IUPAC Name: 9-[2-(4-methoxyphenyl)-2-oxoethyl]-1-methyl-3H-purine-2,6-dione Traditional Name: 9-[2-keto-2-(4-methoxyphenyl)ethyl]-1-methyl-xanthine Formula: C15H14N4O4 MolecularWeight: 314.29606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14N4O4/c1-18-14(21)12-13(17-15(18)22)19(8-16-12)7-11(20)9-3-5-10(23-2)6-4-9/h3-6,8H,7H2,1-2H3,(H,17,22)