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

Systemtic Name: diethyl-[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-diethyl-ammonium CAS Name: 2-[4-[(2-anilino-2-oxoethyl)thio]-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl]ethyl-diethylammonium IUPAC Name: 2-[4-(2-anilino-2-oxoethyl)sulfanyl-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl]ethyl-diethylazanium Traditional Name: 2-[4-[(2-anilino-2-keto-ethyl)thio]-2-keto-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl]ethyl-diethyl-ammonium Formula: C21H29N4O2S+ MolecularWeight: 401.54556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O2S/c1-3-24(4-2)13-14-25-18-12-8-11-17(18)20(23-21(25)27)28-15-19(26)22-16-9-6-5-7-10-16/h5-7,9-10H,3-4,8,11-15H2,1-2H3,(H,22,26)/p+1