N-(3-azanyl-6-tert-butyl-4-oxidanylidene-4a,7a-dihydrothieno[3,2-d]pyrimidin-2-yl)-4-chloranyl-5-methyl-2-sulfanyl-benzenesulfonamide

Systemtic Name: N-(3-azanyl-6-tert-butyl-4-oxidanylidene-4a,7a-dihydrothieno[3,2-d]pyrimidin-2-yl)-4-chloranyl-5-methyl-2-sulfanyl-benzenesulfonamide Openeye Name: N-(3-amino-6-tert-butyl-4-oxo-4a,7a-dihydrothieno[3,2-d]pyrimidin-2-yl)-4-chloro-5-methyl-2-sulfanyl-benzenesulfonamide CAS Name: N-(3-amino-6-tert-butyl-4-oxo-4a,7a-dihydrothieno[3,2-d]pyrimidin-2-yl)-4-chloro-2-mercapto-5-methylbenzenesulfonamide IUPAC Name: N-(3-amino-6-tert-butyl-4-oxo-4a,7a-dihydrothieno[3,2-d]pyrimidin-2-yl)-4-chloro-5-methyl-2-sulfanylbenzenesulfonamide Traditional Name: N-(3-amino-6-tert-butyl-4-keto-4a,7a-dihydrothieno[3,2-d]pyrimidin-2-yl)-4-chloro-2-mercapto-5-methyl-benzenesulfonamide Formula: C17H21ClN4O3S3 MolecularWeight: 461.02164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NC3C=C(SC3C(=O)N2N)C(C)(C)C

Isomeric SMILES

CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NC3C=C(SC3C(=O)N2N)C(C)(C)C

InChI

InChI=1S/C17H21ClN4O3S3/c1-8-5-12(11(26)6-9(8)18)28(24,25)21-16-20-10-7-13(17(2,3)4)27-14(10)15(23)22(16)19/h5-7,10,14,26H,19H2,1-4H3,(H,20,21)