7-[2-(4-ethylphenyl)-2-oxidanylidene-ethyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[2-(4-ethylphenyl)-2-oxidanylidene-ethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[2-(4-ethylphenyl)-2-oxo-ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-(4-ethylphenyl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-(4-ethylphenyl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-(4-ethylphenyl)-2-keto-ethyl]-1,3-dimethyl-xanthine Formula: C17H18N4O3 MolecularWeight: 326.34982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4O3/c1-4-11-5-7-12(8-6-11)13(22)9-21-10-18-15-14(21)16(23)20(3)17(24)19(15)2/h5-8,10H,4,9H2,1-3H3