1,3-dimethyl-7-(6-oxidanylidene-6-phenyl-hexyl)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-(6-oxidanylidene-6-phenyl-hexyl)purine-2,6-dione Openeye Name: 1,3-dimethyl-7-(6-oxo-6-phenyl-hexyl)purine-2,6-dione CAS Name: 1,3-dimethyl-7-(6-oxo-6-phenylhexyl)purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-(6-oxo-6-phenylhexyl)purine-2,6-dione Traditional Name: 7-(6-keto-6-phenyl-hexyl)-1,3-dimethyl-xanthine Formula: C19H22N4O3 MolecularWeight: 354.40298

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCCCC(=O)C3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCCCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H22N4O3/c1-21-17-16(18(25)22(2)19(21)26)23(13-20-17)12-8-4-7-11-15(24)14-9-5-3-6-10-14/h3,5-6,9-10,13H,4,7-8,11-12H2,1-2H3