7,7-dimethyl-9-oxidanylidene-8,9a-dihydro-6H-pyrimido[4,5-b][1,4]benzothiazine-4-thiolate

Systemtic Name: 7,7-dimethyl-9-oxidanylidene-8,9a-dihydro-6H-pyrimido[4,5-b][1,4]benzothiazine-4-thiolate Openeye Name: 7,7-dimethyl-9-oxo-8,9a-dihydro-6H-pyrimido[4,5-b][1,4]benzothiazine-4-thiolate CAS Name: 7,7-dimethyl-9-oxo-8,9a-dihydro-6H-pyrimido[4,5-b][1,4]benzothiazine-4-thiolate IUPAC Name: 7,7-dimethyl-9-oxo-8,9a-dihydro-6H-pyrimido[4,5-b][1,4]benzothiazine-4-thiolate Traditional Name: 9-keto-7,7-dimethyl-8,9a-dihydro-6H-pyrimido[4,5-b][1,4]benzothiazine-4-thiolate Formula: C12H12N3OS2- MolecularWeight: 278.37318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=NC3=C(N=CN=C3SC2C(=O)C1)[S-])C

Isomeric SMILES

CC1(CC2=NC3=C(N=CN=C3SC2C(=O)C1)[S-])C

InChI

InChI=1S/C12H13N3OS2/c1-12(2)3-6-9(7(16)4-12)18-11-8(15-6)10(17)13-5-14-11/h5,9H,3-4H2,1-2H3,(H,13,14,17)/p-1