N-(3-azanyl-4-oxidanylidene-thieno[3,4-d]pyrimidin-2-yl)-4-chloranyl-5-methyl-2-sulfanyl-benzenesulfonamide

Systemtic Name: N-(3-azanyl-4-oxidanylidene-thieno[3,4-d]pyrimidin-2-yl)-4-chloranyl-5-methyl-2-sulfanyl-benzenesulfonamide Openeye Name: N-(3-amino-4-oxo-thieno[3,4-d]pyrimidin-2-yl)-4-chloro-5-methyl-2-sulfanyl-benzenesulfonamide CAS Name: N-(3-amino-4-oxo-2-thieno[3,4-d]pyrimidinyl)-4-chloro-2-mercapto-5-methylbenzenesulfonamide IUPAC Name: N-(3-amino-4-oxothieno[3,4-d]pyrimidin-2-yl)-4-chloro-5-methyl-2-sulfanylbenzenesulfonamide Traditional Name: N-(3-amino-4-keto-thieno[3,4-d]pyrimidin-2-yl)-4-chloro-2-mercapto-5-methyl-benzenesulfonamide Formula: C13H11ClN4O3S3 MolecularWeight: 402.89944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11ClN4O3S3/c1-6-2-11(10(22)3-8(6)14)24(20,21)17-13-16-9-5-23-4-7(9)12(19)18(13)15/h2-5,22H,15H2,1H3,(H,16,17)