4-(4-azanyl-8,8-dimethyl-6-oxidanylidene-3,5-diphenyl-2-sulfanylidene-7,9-dihydro-5H-pyrimido[4,5-b]quinolin-10-yl)benzenesulfonamide

Systemtic Name: 4-(4-azanyl-8,8-dimethyl-6-oxidanylidene-3,5-diphenyl-2-sulfanylidene-7,9-dihydro-5H-pyrimido[4,5-b]quinolin-10-yl)benzenesulfonamide Openeye Name: 4-(4-amino-8,8-dimethyl-6-oxo-3,5-diphenyl-2-thioxo-7,9-dihydro-5H-pyrimido[4,5-b]quinolin-10-yl)benzenesulfonamide CAS Name: 4-(4-amino-8,8-dimethyl-6-oxo-3,5-diphenyl-2-sulfanylidene-7,9-dihydro-5H-pyrimido[4,5-b]quinolin-10-yl)benzenesulfonamide IUPAC Name: 4-(4-amino-8,8-dimethyl-6-oxo-3,5-diphenyl-2-sulfanylidene-7,9-dihydro-5H-pyrimido[4,5-b]quinolin-10-yl)benzenesulfonamide Traditional Name: 4-(4-amino-6-keto-8,8-dimethyl-3,5-diphenyl-2-thioxo-7,9-dihydro-5H-pyrimido[4,5-b]quinolin-10-yl)benzenesulfonamide Formula: C31H29N5O3S2 MolecularWeight: 583.72366

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C3=C(N(C(=S)N=C3N2C4=CC=C(C=C4)S(=O)(=O)N)C5=CC=CC=C5)N)C6=CC=CC=C6)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C3=C(N(C(=S)N=C3N2C4=CC=C(C=C4)S(=O)(=O)N)C5=CC=CC=C5)N)C6=CC=CC=C6)C(=O)C1)C

InChI

InChI=1S/C31H29N5O3S2/c1-31(2)17-23-26(24(37)18-31)25(19-9-5-3-6-10-19)27-28(32)36(20-11-7-4-8-12-20)30(40)34-29(27)35(23)21-13-15-22(16-14-21)41(33,38)39/h3-16,25H,17-18,32H2,1-2H3,(H2,33,38,39)