N-(3-azanyl-6,7-dimethoxy-4-oxidanylidene-quinazolin-2-yl)-4-chloranyl-5-methyl-2-sulfanyl-benzenesulfonamide

Systemtic Name: N-(3-azanyl-6,7-dimethoxy-4-oxidanylidene-quinazolin-2-yl)-4-chloranyl-5-methyl-2-sulfanyl-benzenesulfonamide Openeye Name: N-(3-amino-6,7-dimethoxy-4-oxo-quinazolin-2-yl)-4-chloro-5-methyl-2-sulfanyl-benzenesulfonamide CAS Name: N-(3-amino-6,7-dimethoxy-4-oxo-2-quinazolinyl)-4-chloro-2-mercapto-5-methylbenzenesulfonamide IUPAC Name: N-(3-amino-6,7-dimethoxy-4-oxoquinazolin-2-yl)-4-chloro-5-methyl-2-sulfanylbenzenesulfonamide Traditional Name: N-(3-amino-4-keto-6,7-dimethoxy-quinazolin-2-yl)-4-chloro-2-mercapto-5-methyl-benzenesulfonamide Formula: C17H17ClN4O5S2 MolecularWeight: 456.92368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NC3=CC(=C(C=C3C(=O)N2N)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NC3=CC(=C(C=C3C(=O)N2N)OC)OC

InChI

InChI=1S/C17H17ClN4O5S2/c1-8-4-15(14(28)6-10(8)18)29(24,25)21-17-20-11-7-13(27-3)12(26-2)5-9(11)16(23)22(17)19/h4-7,28H,19H2,1-3H3,(H,20,21)