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

Systemtic Name: 8-chloranyl-7-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-chloro-7-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-chloro-7-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-chloro-7-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-chloro-7-[2-keto-2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethyl]-1,3-dimethyl-xanthine Formula: C19H20ClN5O4 MolecularWeight: 417.8462

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC(=O)N3CCCC4=C3C=CC(=C4)OC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC(=O)N3CCCC4=C3C=CC(=C4)OC

InChI

InChI=1S/C19H20ClN5O4/c1-22-16-15(17(27)23(2)19(22)28)25(18(20)21-16)10-14(26)24-8-4-5-11-9-12(29-3)6-7-13(11)24/h6-7,9H,4-5,8,10H2,1-3H3