2-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-4-oxidanylidene-[1]benzothiolo[3,2-d]pyrimidin-3-yl]ethyl-dimethyl-azanium

Systemtic Name: 2-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-4-oxidanylidene-[1]benzothiolo[3,2-d]pyrimidin-3-yl]ethyl-dimethyl-azanium Openeye Name: 2-[2-(2-amino-2-oxo-ethyl)sulfanyl-4-oxo-benzothiopheno[3,2-d]pyrimidin-3-yl]ethyl-dimethyl-ammonium CAS Name: 2-[2-[(2-amino-2-oxoethyl)thio]-4-oxo-[1]benzothiolo[3,2-d]pyrimidin-3-yl]ethyl-dimethylammonium IUPAC Name: 2-[2-(2-amino-2-oxoethyl)sulfanyl-4-oxo-[1]benzothiolo[3,2-d]pyrimidin-3-yl]ethyl-dimethylazanium Traditional Name: 2-[2-[(2-amino-2-keto-ethyl)thio]-4-keto-benzothiopheno[3,2-d]pyrimidin-3-yl]ethyl-dimethyl-ammonium Formula: C16H19N4O2S2+ MolecularWeight: 363.47766

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN1C(=O)C2=C(C3=CC=CC=C3S2)N=C1SCC(=O)N

Isomeric SMILES

C[NH+](C)CCN1C(=O)C2=C(C3=CC=CC=C3S2)N=C1SCC(=O)N

InChI

InChI=1S/C16H18N4O2S2/c1-19(2)7-8-20-15(22)14-13(18-16(20)23-9-12(17)21)10-5-3-4-6-11(10)24-14/h3-6H,7-9H2,1-2H3,(H2,17,21)/p+1