7-[2-(4-ethylphenyl)-2-oxidanylidene-ethyl]-3-methyl-purine-2,6-dione

Systemtic Name: 7-[2-(4-ethylphenyl)-2-oxidanylidene-ethyl]-3-methyl-purine-2,6-dione Openeye Name: 7-[2-(4-ethylphenyl)-2-oxo-ethyl]-3-methyl-purine-2,6-dione CAS Name: 7-[2-(4-ethylphenyl)-2-oxoethyl]-3-methylpurine-2,6-dione IUPAC Name: 7-[2-(4-ethylphenyl)-2-oxoethyl]-3-methylpurine-2,6-dione Traditional Name: 7-[2-(4-ethylphenyl)-2-keto-ethyl]-3-methyl-xanthine Formula: C16H16N4O3 MolecularWeight: 312.32324

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)CN2C=NC3=C2C(=O)NC(=O)N3C

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)CN2C=NC3=C2C(=O)NC(=O)N3C

InChI

InChI=1S/C16H16N4O3/c1-3-10-4-6-11(7-5-10)12(21)8-20-9-17-14-13(20)15(22)18-16(23)19(14)2/h4-7,9H,3,8H2,1-2H3,(H,18,22,23)