2-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]sulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-olate

Systemtic Name: 2-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]sulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-olate Openeye Name: 2-[2-(benzylamino)-2-oxo-ethyl]sulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-olate CAS Name: 2-[[2-oxo-2-[(phenylmethyl)amino]ethyl]thio]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-olate IUPAC Name: 2-[2-(benzylamino)-2-oxoethyl]sulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-olate Traditional Name: 2-[[2-(benzylamino)-2-keto-ethyl]thio]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-olate Formula: C16H16N3O2S- MolecularWeight: 314.38214

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)N=C(N=C2[O-])SCC(=O)NCC3=CC=CC=C3

Isomeric SMILES

C1CC2=C(C1)N=C(N=C2[O-])SCC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C16H17N3O2S/c20-14(17-9-11-5-2-1-3-6-11)10-22-16-18-13-8-4-7-12(13)15(21)19-16/h1-3,5-6H,4,7-10H2,(H,17,20)(H,18,19,21)/p-1