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

Systemtic Name: 2-[(3-chlorophenyl)methylsulfanyl]-6-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]pyrimidin-4-olate Openeye Name: 2-[(3-chlorophenyl)methylsulfanyl]-6-[2-oxo-2-(2-thienylmethylamino)ethyl]pyrimidin-4-olate CAS Name: 2-[(3-chlorophenyl)methylthio]-6-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-4-pyrimidinolate IUPAC Name: 2-[(3-chlorophenyl)methylsulfanyl]-6-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]pyrimidin-4-olate Traditional Name: 2-[(3-chlorobenzyl)thio]-6-[2-keto-2-(2-thenylamino)ethyl]pyrimidin-4-olate Formula: C18H15ClN3O2S2- MolecularWeight: 404.9136

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)CSC2=NC(=CC(=N2)[O-])CC(=O)NCC3=CC=CS3

Isomeric SMILES

C1=CC(=CC(=C1)Cl)CSC2=NC(=CC(=N2)[O-])CC(=O)NCC3=CC=CS3

InChI

InChI=1S/C18H16ClN3O2S2/c19-13-4-1-3-12(7-13)11-26-18-21-14(9-17(24)22-18)8-16(23)20-10-15-5-2-6-25-15/h1-7,9H,8,10-11H2,(H,20,23)(H,21,22,24)/p-1