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

Systemtic Name: (5S)-8,8-dimethyl-6-oxidanylidene-5-phenyl-2-sulfanylidene-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinolin-4-olate Openeye Name: (5S)-8,8-dimethyl-6-oxo-5-phenyl-2-thioxo-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinolin-4-olate CAS Name: (5S)-8,8-dimethyl-6-oxo-5-phenyl-2-sulfanylidene-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinolin-4-olate IUPAC Name: (5S)-8,8-dimethyl-6-oxo-5-phenyl-2-sulfanylidene-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinolin-4-olate Traditional Name: (5S)-6-keto-8,8-dimethyl-5-phenyl-2-thioxo-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinolin-4-olate Formula: C19H18N3O2S- MolecularWeight: 352.43012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O2S/c1-19(2)8-11-14(12(23)9-19)13(10-6-4-3-5-7-10)15-16(20-11)21-18(25)22-17(15)24/h3-7,13H,8-9H2,1-2H3,(H3,20,21,22,24,25)/p-1/t13-/m1/s1