(5S)-8,8-dimethyl-6-oxidanylidene-5-pyridin-3-yl-2-sulfanylidene-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinolin-4-olate

Systemtic Name: (5S)-8,8-dimethyl-6-oxidanylidene-5-pyridin-3-yl-2-sulfanylidene-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinolin-4-olate Openeye Name: (5S)-8,8-dimethyl-6-oxo-5-(3-pyridyl)-2-thioxo-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinolin-4-olate CAS Name: (5S)-8,8-dimethyl-6-oxo-5-(3-pyridinyl)-2-sulfanylidene-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinolin-4-olate IUPAC Name: (5S)-8,8-dimethyl-6-oxo-5-pyridin-3-yl-2-sulfanylidene-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinolin-4-olate Traditional Name: (5S)-6-keto-8,8-dimethyl-5-(3-pyridyl)-2-thioxo-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinolin-4-olate Formula: C18H17N4O2S- MolecularWeight: 353.41818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C3=C(N2)NC(=S)N=C3[O-])C4=CN=CC=C4)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C([C@H](C3=C(N2)NC(=S)N=C3[O-])C4=CN=CC=C4)C(=O)C1)C

InChI

InChI=1S/C18H18N4O2S/c1-18(2)6-10-13(11(23)7-18)12(9-4-3-5-19-8-9)14-15(20-10)21-17(25)22-16(14)24/h3-5,8,12H,6-7H2,1-2H3,(H3,20,21,22,24,25)/p-1/t12-/m1/s1