1,3-dimethyl-7-[2-oxidanyl-2-(2-oxidanylidene-3,4-dihydro-1H-quinolin-6-yl)ethyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[2-oxidanyl-2-(2-oxidanylidene-3,4-dihydro-1H-quinolin-6-yl)ethyl]purine-2,6-dione Openeye Name: 7-[2-hydroxy-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-hydroxy-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-hydroxy-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-hydroxy-2-(2-keto-3,4-dihydro-1H-quinolin-6-yl)ethyl]-1,3-dimethyl-xanthine Formula: C18H19N5O4 MolecularWeight: 369.37456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N5O4/c1-21-16-15(17(26)22(2)18(21)27)23(9-19-16)8-13(24)11-3-5-12-10(7-11)4-6-14(25)20-12/h3,5,7,9,13,24H,4,6,8H2,1-2H3,(H,20,25)