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

Systemtic Name: 2-[2-[(3-ethanoylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-olate Openeye Name: 2-[2-(3-acetylanilino)-2-oxo-ethyl]sulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-olate CAS Name: 2-[[2-(3-acetylanilino)-2-oxoethyl]thio]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-olate IUPAC Name: 2-[2-(3-acetylanilino)-2-oxoethyl]sulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-olate Traditional Name: 2-[[2-(3-acetylanilino)-2-keto-ethyl]thio]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-olate Formula: C17H16N3O3S- MolecularWeight: 342.39224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O3S/c1-10(21)11-4-2-5-12(8-11)18-15(22)9-24-17-19-14-7-3-6-13(14)16(23)20-17/h2,4-5,8H,3,6-7,9H2,1H3,(H,18,22)(H,19,20,23)/p-1