2-[(3-chlorophenyl)methylsulfanyl]-6-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]pyrimidin-4-olate

Systemtic Name: 2-[(3-chlorophenyl)methylsulfanyl]-6-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]pyrimidin-4-olate Openeye Name: 2-[(3-chlorophenyl)methylsulfanyl]-6-[2-(cyclopropylamino)-2-oxo-ethyl]pyrimidin-4-olate CAS Name: 2-[(3-chlorophenyl)methylthio]-6-[2-(cyclopropylamino)-2-oxoethyl]-4-pyrimidinolate IUPAC Name: 2-[(3-chlorophenyl)methylsulfanyl]-6-[2-(cyclopropylamino)-2-oxoethyl]pyrimidin-4-olate Traditional Name: 2-[(3-chlorobenzyl)thio]-6-[2-(cyclopropylamino)-2-keto-ethyl]pyrimidin-4-olate Formula: C16H15ClN3O2S- MolecularWeight: 348.8272

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)CC2=CC(=NC(=N2)SCC3=CC(=CC=C3)Cl)[O-]

Isomeric SMILES

C1CC1NC(=O)CC2=CC(=NC(=N2)SCC3=CC(=CC=C3)Cl)[O-]

InChI

InChI=1S/C16H16ClN3O2S/c17-11-3-1-2-10(6-11)9-23-16-19-13(8-15(22)20-16)7-14(21)18-12-4-5-12/h1-3,6,8,12H,4-5,7,9H2,(H,18,21)(H,19,20,22)/p-1