2-[(3-chlorophenyl)methylsulfanyl]-6-[2-oxidanylidene-2-(1,3-thiazol-2-ylamino)ethyl]pyrimidin-4-olate

Systemtic Name: 2-[(3-chlorophenyl)methylsulfanyl]-6-[2-oxidanylidene-2-(1,3-thiazol-2-ylamino)ethyl]pyrimidin-4-olate Openeye Name: 2-[(3-chlorophenyl)methylsulfanyl]-6-[2-oxo-2-(thiazol-2-ylamino)ethyl]pyrimidin-4-olate CAS Name: 2-[(3-chlorophenyl)methylthio]-6-[2-oxo-2-(2-thiazolylamino)ethyl]-4-pyrimidinolate IUPAC Name: 2-[(3-chlorophenyl)methylsulfanyl]-6-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]pyrimidin-4-olate Traditional Name: 2-[(3-chlorobenzyl)thio]-6-[2-keto-2-(thiazol-2-ylamino)ethyl]pyrimidin-4-olate Formula: C16H12ClN4O2S2- MolecularWeight: 391.87508

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)CSC2=NC(=CC(=N2)[O-])CC(=O)NC3=NC=CS3

Isomeric SMILES

C1=CC(=CC(=C1)Cl)CSC2=NC(=CC(=N2)[O-])CC(=O)NC3=NC=CS3

InChI

InChI=1S/C16H13ClN4O2S2/c17-11-3-1-2-10(6-11)9-25-16-19-12(8-14(23)21-16)7-13(22)20-15-18-4-5-24-15/h1-6,8H,7,9H2,(H,18,20,22)(H,19,21,23)/p-1