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

Systemtic Name: 2-[(3-chlorophenyl)methylsulfanyl]-6-[2-(methylamino)-2-oxidanylidene-ethyl]pyrimidin-4-olate Openeye Name: 2-[(3-chlorophenyl)methylsulfanyl]-6-[2-(methylamino)-2-oxo-ethyl]pyrimidin-4-olate CAS Name: 2-[(3-chlorophenyl)methylthio]-6-[2-(methylamino)-2-oxoethyl]-4-pyrimidinolate IUPAC Name: 2-[(3-chlorophenyl)methylsulfanyl]-6-[2-(methylamino)-2-oxoethyl]pyrimidin-4-olate Traditional Name: 2-[(3-chlorobenzyl)thio]-6-[2-keto-2-(methylamino)ethyl]pyrimidin-4-olate Formula: C14H13ClN3O2S- MolecularWeight: 322.78992

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)CC1=CC(=NC(=N1)SCC2=CC(=CC=C2)Cl)[O-]

Isomeric SMILES

CNC(=O)CC1=CC(=NC(=N1)SCC2=CC(=CC=C2)Cl)[O-]

InChI

InChI=1S/C14H14ClN3O2S/c1-16-12(19)6-11-7-13(20)18-14(17-11)21-8-9-3-2-4-10(15)5-9/h2-5,7H,6,8H2,1H3,(H,16,19)(H,17,18,20)/p-1