dimethyl-[2-[2-oxidanylidene-4-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl]ethyl]azanium

Systemtic Name: dimethyl-[2-[2-oxidanylidene-4-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl]ethyl]azanium Openeye Name: 2-[4-(2-anilino-2-oxo-ethyl)sulfanyl-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl]ethyl-dimethyl-ammonium CAS Name: 2-[4-[(2-anilino-2-oxoethyl)thio]-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl]ethyl-dimethylammonium IUPAC Name: 2-[4-(2-anilino-2-oxoethyl)sulfanyl-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl]ethyl-dimethylazanium Traditional Name: 2-[4-[(2-anilino-2-keto-ethyl)thio]-2-keto-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl]ethyl-dimethyl-ammonium Formula: C19H25N4O2S+ MolecularWeight: 373.4924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN1C2=C(CCC2)C(=NC1=O)SCC(=O)NC3=CC=CC=C3

Isomeric SMILES

C[NH+](C)CCN1C2=C(CCC2)C(=NC1=O)SCC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C19H24N4O2S/c1-22(2)11-12-23-16-10-6-9-15(16)18(21-19(23)25)26-13-17(24)20-14-7-4-3-5-8-14/h3-5,7-8H,6,9-13H2,1-2H3,(H,20,24)/p+1