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

Systemtic Name: 9-[2-(4-ethoxyphenyl)-2-oxidanylidene-ethyl]-1-methyl-3H-purine-2,6-dione Openeye Name: 9-[2-(4-ethoxyphenyl)-2-oxo-ethyl]-1-methyl-3H-purine-2,6-dione CAS Name: 9-[2-(4-ethoxyphenyl)-2-oxoethyl]-1-methyl-3H-purine-2,6-dione IUPAC Name: 9-[2-(4-ethoxyphenyl)-2-oxoethyl]-1-methyl-3H-purine-2,6-dione Traditional Name: 9-(2-keto-2-p-phenetyl-ethyl)-1-methyl-xanthine Formula: C16H16N4O4 MolecularWeight: 328.32264

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)CN2C=NC3=C2NC(=O)N(C3=O)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)CN2C=NC3=C2NC(=O)N(C3=O)C

InChI

InChI=1S/C16H16N4O4/c1-3-24-11-6-4-10(5-7-11)12(21)8-20-9-17-13-14(20)18-16(23)19(2)15(13)22/h4-7,9H,3,8H2,1-2H3,(H,18,23)