dimethyl-[3-[2-oxidanylidene-4-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl]propyl]azanium

Systemtic Name: dimethyl-[3-[2-oxidanylidene-4-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl]propyl]azanium Openeye Name: 3-[4-(2-anilino-2-oxo-ethyl)sulfanyl-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl]propyl-dimethyl-ammonium CAS Name: 3-[4-[(2-anilino-2-oxoethyl)thio]-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl]propyl-dimethylammonium IUPAC Name: 3-[4-(2-anilino-2-oxoethyl)sulfanyl-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl]propyl-dimethylazanium Traditional Name: 3-[4-[(2-anilino-2-keto-ethyl)thio]-2-keto-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl]propyl-dimethyl-ammonium Formula: C20H27N4O2S+ MolecularWeight: 387.51898

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN1C2=C(CCC2)C(=NC1=O)SCC(=O)NC3=CC=CC=C3

Isomeric SMILES

C[NH+](C)CCCN1C2=C(CCC2)C(=NC1=O)SCC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C20H26N4O2S/c1-23(2)12-7-13-24-17-11-6-10-16(17)19(22-20(24)26)27-14-18(25)21-15-8-4-3-5-9-15/h3-5,8-9H,6-7,10-14H2,1-2H3,(H,21,25)/p+1