2-[(3-chlorophenyl)methylsulfanyl]-6-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)pyrimidin-4-olate

Systemtic Name: 2-[(3-chlorophenyl)methylsulfanyl]-6-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)pyrimidin-4-olate Openeye Name: 2-[(3-chlorophenyl)methylsulfanyl]-6-(2-oxo-2-pyrrolidin-1-yl-ethyl)pyrimidin-4-olate CAS Name: 2-[(3-chlorophenyl)methylthio]-6-[2-oxo-2-(1-pyrrolidinyl)ethyl]-4-pyrimidinolate IUPAC Name: 2-[(3-chlorophenyl)methylsulfanyl]-6-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-olate Traditional Name: 2-[(3-chlorobenzyl)thio]-6-(2-keto-2-pyrrolidino-ethyl)pyrimidin-4-olate Formula: C17H17ClN3O2S- MolecularWeight: 362.85378

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CC2=CC(=NC(=N2)SCC3=CC(=CC=C3)Cl)[O-]

Isomeric SMILES

C1CCN(C1)C(=O)CC2=CC(=NC(=N2)SCC3=CC(=CC=C3)Cl)[O-]

InChI

InChI=1S/C17H18ClN3O2S/c18-13-5-3-4-12(8-13)11-24-17-19-14(9-15(22)20-17)10-16(23)21-6-1-2-7-21/h3-5,8-9H,1-2,6-7,10-11H2,(H,19,20,22)/p-1