(4-methoxy-7,7-dimethyl-6,8-dihydropyrimido[4,5-b][1,4]benzothiazin-9-yl)-(4-oxidanyl-4-oxidanylidene-butyl)azanium bromide

Systemtic Name: (4-methoxy-7,7-dimethyl-6,8-dihydropyrimido[4,5-b][1,4]benzothiazin-9-yl)-(4-oxidanyl-4-oxidanylidene-butyl)azanium bromide Openeye Name: (4-hydroxy-4-oxo-butyl)-(4-methoxy-7,7-dimethyl-6,8-dihydropyrimido[4,5-b][1,4]benzothiazin-9-yl)ammonium bromide CAS Name: (4-hydroxy-4-oxobutyl)-(4-methoxy-7,7-dimethyl-6,8-dihydropyrimido[4,5-b][1,4]benzothiazin-9-yl)ammonium bromide IUPAC Name: (4-hydroxy-4-oxobutyl)-(4-methoxy-7,7-dimethyl-6,8-dihydropyrimido[4,5-b][1,4]benzothiazin-9-yl)azanium bromide Traditional Name: (4-hydroxy-4-keto-butyl)-(4-methoxy-7,7-dimethyl-6,8-dihydropyrimido[4,5-b][1,4]benzothiazin-9-yl)ammonium bromide Formula: C17H23BrN4O3S MolecularWeight: 443.35852

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C2C(=NC3=C(N=CN=C3S2)OC)C1)[NH2+]CCCC(=O)O)C.[Br-]

Isomeric SMILES

CC1(CC(=C2C(=NC3=C(N=CN=C3S2)OC)C1)[NH2+]CCCC(=O)O)C.[Br-]

InChI

InChI=1S/C17H22N4O3S.BrH/c1-17(2)7-10(18-6-4-5-12(22)23)14-11(8-17)21-13-15(24-3)19-9-20-16(13)25-14;/h9,18H,4-8H2,1-3H3,(H,22,23);1H