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

Systemtic Name: 6-[2-oxidanylidene-2-(pyridin-3-ylamino)ethyl]-2-(phenylmethylsulfanyl)pyrimidin-4-olate Openeye Name: 2-benzylsulfanyl-6-[2-oxo-2-(3-pyridylamino)ethyl]pyrimidin-4-olate CAS Name: 6-[2-oxo-2-(3-pyridinylamino)ethyl]-2-(phenylmethylthio)-4-pyrimidinolate IUPAC Name: 2-benzylsulfanyl-6-[2-oxo-2-(pyridin-3-ylamino)ethyl]pyrimidin-4-olate Traditional Name: 2-(benzylthio)-6-[2-keto-2-(3-pyridylamino)ethyl]pyrimidin-4-olate Formula: C18H15N4O2S- MolecularWeight: 351.4023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N4O2S/c23-16(20-14-7-4-8-19-11-14)9-15-10-17(24)22-18(21-15)25-12-13-5-2-1-3-6-13/h1-8,10-11H,9,12H2,(H,20,23)(H,21,22,24)/p-1