1,3-dimethyl-7-(2-naphthalen-2-yl-2-oxidanylidene-ethyl)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-(2-naphthalen-2-yl-2-oxidanylidene-ethyl)purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[2-(2-naphthyl)-2-oxo-ethyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[2-(2-naphthalenyl)-2-oxoethyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-(2-naphthalen-2-yl-2-oxoethyl)purine-2,6-dione Traditional Name: 7-[2-keto-2-(2-naphthyl)ethyl]-1,3-dimethyl-xanthine Formula: C19H16N4O3 MolecularWeight: 348.35534

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C19H16N4O3/c1-21-17-16(18(25)22(2)19(21)26)23(11-20-17)10-15(24)14-8-7-12-5-3-4-6-13(12)9-14/h3-9,11H,10H2,1-2H3