N-[2-[2-(3-azanyl-5-methyl-pyrazol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[2-[2-(3-azanyl-5-methyl-pyrazol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]-4-methyl-benzenesulfonamide Openeye Name: N-[2-[2-(3-amino-5-methyl-pyrazol-1-yl)-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]-4-methyl-benzenesulfonamide CAS Name: N-[2-[[2-(3-amino-5-methyl-1-pyrazolyl)-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]-4-methylbenzenesulfonamide IUPAC Name: N-[2-[2-(3-amino-5-methylpyrazol-1-yl)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]-4-methylbenzenesulfonamide Traditional Name: N-[2-[[2-(3-amino-5-methyl-pyrazol-1-yl)-2-keto-ethyl]thio]-4-keto-quinazolin-3-yl]-4-methyl-benzenesulfonamide Formula: C21H20N6O4S2 MolecularWeight: 484.5513

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NN2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4C(=CC(=N4)N)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NN2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4C(=CC(=N4)N)C

InChI

InChI=1S/C21H20N6O4S2/c1-13-7-9-15(10-8-13)33(30,31)25-27-20(29)16-5-3-4-6-17(16)23-21(27)32-12-19(28)26-14(2)11-18(22)24-26/h3-11,25H,12H2,1-2H3,(H2,22,24)