2-[2-[ethyl-(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-olate

Systemtic Name: 2-[2-[ethyl-(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-olate Openeye Name: 2-[2-(N-ethyl-3-methyl-anilino)-2-oxo-ethyl]sulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-olate CAS Name: 2-[[2-(N-ethyl-3-methylanilino)-2-oxoethyl]thio]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-olate IUPAC Name: 2-[2-(N-ethyl-3-methylanilino)-2-oxoethyl]sulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-olate Traditional Name: 2-[[2-(N-ethyl-3-methyl-anilino)-2-keto-ethyl]thio]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-olate Formula: C18H20N3O2S- MolecularWeight: 342.4353

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC(=C1)C)C(=O)CSC2=NC3=C(CCC3)C(=N2)[O-]

Isomeric SMILES

CCN(C1=CC=CC(=C1)C)C(=O)CSC2=NC3=C(CCC3)C(=N2)[O-]

InChI

InChI=1S/C18H21N3O2S/c1-3-21(13-7-4-6-12(2)10-13)16(22)11-24-18-19-15-9-5-8-14(15)17(23)20-18/h4,6-7,10H,3,5,8-9,11H2,1-2H3,(H,19,20,23)/p-1