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

Systemtic Name: 2-[(3-chlorophenyl)methylsulfanyl]-6-[2-oxidanylidene-2-(pyridin-3-ylamino)ethyl]pyrimidin-4-olate Openeye Name: 2-[(3-chlorophenyl)methylsulfanyl]-6-[2-oxo-2-(3-pyridylamino)ethyl]pyrimidin-4-olate CAS Name: 2-[(3-chlorophenyl)methylthio]-6-[2-oxo-2-(3-pyridinylamino)ethyl]-4-pyrimidinolate IUPAC Name: 2-[(3-chlorophenyl)methylsulfanyl]-6-[2-oxo-2-(pyridin-3-ylamino)ethyl]pyrimidin-4-olate Traditional Name: 2-[(3-chlorobenzyl)thio]-6-[2-keto-2-(3-pyridylamino)ethyl]pyrimidin-4-olate Formula: C18H14ClN4O2S- MolecularWeight: 385.84736

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)CSC2=NC(=CC(=N2)[O-])CC(=O)NC3=CN=CC=C3

Isomeric SMILES

C1=CC(=CC(=C1)Cl)CSC2=NC(=CC(=N2)[O-])CC(=O)NC3=CN=CC=C3

InChI

InChI=1S/C18H15ClN4O2S/c19-13-4-1-3-12(7-13)11-26-18-22-15(9-17(25)23-18)8-16(24)21-14-5-2-6-20-10-14/h1-7,9-10H,8,11H2,(H,21,24)(H,22,23,25)/p-1