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

Systemtic Name: diethyl-[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-diethyl-ammonium CAS Name: 3-[4-[(2-anilino-2-oxoethyl)thio]-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl]propyl-diethylammonium IUPAC Name: 3-[4-(2-anilino-2-oxoethyl)sulfanyl-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl]propyl-diethylazanium Traditional Name: 3-[4-[(2-anilino-2-keto-ethyl)thio]-2-keto-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl]propyl-diethyl-ammonium Formula: C22H31N4O2S+ MolecularWeight: 415.57214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4O2S/c1-3-25(4-2)14-9-15-26-19-13-8-12-18(19)21(24-22(26)28)29-16-20(27)23-17-10-6-5-7-11-17/h5-7,10-11H,3-4,8-9,12-16H2,1-2H3,(H,23,27)/p+1