3-methyl-2-methylsulfanyl-7-[2-(2-methylsulfonylphenyl)carbonylpyrazolidin-1-yl]carbonyl-quinazolin-4-one

Systemtic Name: 3-methyl-2-methylsulfanyl-7-[2-(2-methylsulfonylphenyl)carbonylpyrazolidin-1-yl]carbonyl-quinazolin-4-one Openeye Name: 3-methyl-2-methylsulfanyl-7-[2-(2-methylsulfonylbenzoyl)pyrazolidine-1-carbonyl]quinazolin-4-one CAS Name: 3-methyl-7-[[2-[(2-methylsulfonylphenyl)-oxomethyl]-1-pyrazolidinyl]-oxomethyl]-2-(methylthio)-4-quinazolinone IUPAC Name: 3-methyl-2-methylsulfanyl-7-[2-(2-methylsulfonylbenzoyl)pyrazolidine-1-carbonyl]quinazolin-4-one Traditional Name: 7-[2-(2-mesylbenzoyl)pyrazolidine-1-carbonyl]-3-methyl-2-(methylthio)quinazolin-4-one Formula: C22H22N4O5S2 MolecularWeight: 486.56388

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCCN3C(=O)C4=CC=CC=C4S(=O)(=O)C)N=C1SC

Isomeric SMILES

CN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCCN3C(=O)C4=CC=CC=C4S(=O)(=O)C)N=C1SC

InChI

InChI=1S/C22H22N4O5S2/c1-24-20(28)15-10-9-14(13-17(15)23-22(24)32-2)19(27)25-11-6-12-26(25)21(29)16-7-4-5-8-18(16)33(3,30)31/h4-5,7-10,13H,6,11-12H2,1-3H3