4-(4-azanyl-5-methyl-2-sulfanylidene-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)-N-pyrimidin-2-yl-benzenesulfonamide

Systemtic Name: 4-(4-azanyl-5-methyl-2-sulfanylidene-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)-N-pyrimidin-2-yl-benzenesulfonamide Openeye Name: 4-(4-amino-5-methyl-2-thioxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)-N-pyrimidin-2-yl-benzenesulfonamide CAS Name: 4-(4-amino-5-methyl-2-sulfanylidene-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)-N-(2-pyrimidinyl)benzenesulfonamide IUPAC Name: 4-(4-amino-5-methyl-2-sulfanylidene-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)-N-pyrimidin-2-ylbenzenesulfonamide Traditional Name: 4-(4-amino-5-methyl-2-thioxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)-N-(2-pyrimidyl)benzenesulfonamide Formula: C22H21N7O2S2 MolecularWeight: 479.57784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CCCCC2=NC3=NC(=S)N(C(=C13)N)C4=CC=C(C=C4)S(=O)(=O)NC5=NC=CC=N5

Isomeric SMILES

CC1=C2CCCCC2=NC3=NC(=S)N(C(=C13)N)C4=CC=C(C=C4)S(=O)(=O)NC5=NC=CC=N5

InChI

InChI=1S/C22H21N7O2S2/c1-13-16-5-2-3-6-17(16)26-20-18(13)19(23)29(22(32)27-20)14-7-9-15(10-8-14)33(30,31)28-21-24-11-4-12-25-21/h4,7-12H,2-3,5-6,23H2,1H3,(H,24,25,28)