4-(4-azanyl-5,8,8-trimethyl-6-oxidanylidene-2-sulfanylidene-7,9-dihydropyrimido[4,5-b]quinolin-3-yl)benzenesulfonamide

Systemtic Name: 4-(4-azanyl-5,8,8-trimethyl-6-oxidanylidene-2-sulfanylidene-7,9-dihydropyrimido[4,5-b]quinolin-3-yl)benzenesulfonamide Openeye Name: 4-(4-amino-5,8,8-trimethyl-6-oxo-2-thioxo-7,9-dihydropyrimido[4,5-b]quinolin-3-yl)benzenesulfonamide CAS Name: 4-(4-amino-5,8,8-trimethyl-6-oxo-2-sulfanylidene-7,9-dihydropyrimido[4,5-b]quinolin-3-yl)benzenesulfonamide IUPAC Name: 4-(4-amino-5,8,8-trimethyl-6-oxo-2-sulfanylidene-7,9-dihydropyrimido[4,5-b]quinolin-3-yl)benzenesulfonamide Traditional Name: 4-(4-amino-6-keto-5,8,8-trimethyl-2-thioxo-7,9-dihydropyrimido[4,5-b]quinolin-3-yl)benzenesulfonamide Formula: C20H21N5O3S2 MolecularWeight: 443.54244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=NC3=NC(=S)N(C(=C13)N)C4=CC=C(C=C4)S(=O)(=O)N)CC(CC2=O)(C)C

Isomeric SMILES

CC1=C2C(=NC3=NC(=S)N(C(=C13)N)C4=CC=C(C=C4)S(=O)(=O)N)CC(CC2=O)(C)C

InChI

InChI=1S/C20H21N5O3S2/c1-10-15-13(8-20(2,3)9-14(15)26)23-18-16(10)17(21)25(19(29)24-18)11-4-6-12(7-5-11)30(22,27)28/h4-7H,8-9,21H2,1-3H3,(H2,22,27,28)