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

Systemtic Name: 8-chloranyl-7-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-chloro-7-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-chloro-7-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-chloro-7-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-chloro-7-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-keto-ethyl]-1,3-dimethyl-xanthine Formula: C18H18ClN5O3 MolecularWeight: 387.82022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC(=O)N3CCCC4=CC=CC=C43

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC(=O)N3CCCC4=CC=CC=C43

InChI

InChI=1S/C18H18ClN5O3/c1-21-15-14(16(26)22(2)18(21)27)24(17(19)20-15)10-13(25)23-9-5-7-11-6-3-4-8-12(11)23/h3-4,6,8H,5,7,9-10H2,1-2H3