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

Systemtic Name: 2-[(3-chlorophenyl)methylsulfanyl]-6-[2-oxidanylidene-2-(pyridin-3-ylmethylamino)ethyl]pyrimidin-4-olate Openeye Name: 2-[(3-chlorophenyl)methylsulfanyl]-6-[2-oxo-2-(3-pyridylmethylamino)ethyl]pyrimidin-4-olate CAS Name: 2-[(3-chlorophenyl)methylthio]-6-[2-oxo-2-(3-pyridinylmethylamino)ethyl]-4-pyrimidinolate IUPAC Name: 2-[(3-chlorophenyl)methylsulfanyl]-6-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]pyrimidin-4-olate Traditional Name: 2-[(3-chlorobenzyl)thio]-6-[2-keto-2-(3-pyridylmethylamino)ethyl]pyrimidin-4-olate Formula: C19H16ClN4O2S- MolecularWeight: 399.87394

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)CSC2=NC(=CC(=N2)[O-])CC(=O)NCC3=CN=CC=C3

Isomeric SMILES

C1=CC(=CC(=C1)Cl)CSC2=NC(=CC(=N2)[O-])CC(=O)NCC3=CN=CC=C3

InChI

InChI=1S/C19H17ClN4O2S/c20-15-5-1-3-13(7-15)12-27-19-23-16(9-18(26)24-19)8-17(25)22-11-14-4-2-6-21-10-14/h1-7,9-10H,8,11-12H2,(H,22,25)(H,23,24,26)/p-1