8-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-2,9-dimethyl-3H-purin-6-one

Systemtic Name: 8-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-2,9-dimethyl-3H-purin-6-one Openeye Name: 8-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]sulfanyl-2,9-dimethyl-3H-purin-6-one CAS Name: 8-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]thio]-2,9-dimethyl-3H-purin-6-one IUPAC Name: 8-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-2,9-dimethyl-3H-purin-6-one Traditional Name: 8-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-keto-ethyl]thio]-2,9-dimethyl-3H-purin-6-one Formula: C18H19N5O2S MolecularWeight: 369.44076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C2=C(N1)N(C(=N2)SCC(=O)N3CCCC4=CC=CC=C43)C

Isomeric SMILES

CC1=NC(=O)C2=C(N1)N(C(=N2)SCC(=O)N3CCCC4=CC=CC=C43)C

InChI

InChI=1S/C18H19N5O2S/c1-11-19-16-15(17(25)20-11)21-18(22(16)2)26-10-14(24)23-9-5-7-12-6-3-4-8-13(12)23/h3-4,6,8H,5,7,9-10H2,1-2H3,(H,19,20,25)