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

Systemtic Name: 6-[2-oxidanylidene-2-(1,3-thiazol-2-ylamino)ethyl]-2-(phenylmethylsulfanyl)pyrimidin-4-olate Openeye Name: 2-benzylsulfanyl-6-[2-oxo-2-(thiazol-2-ylamino)ethyl]pyrimidin-4-olate CAS Name: 6-[2-oxo-2-(2-thiazolylamino)ethyl]-2-(phenylmethylthio)-4-pyrimidinolate IUPAC Name: 2-benzylsulfanyl-6-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]pyrimidin-4-olate Traditional Name: 2-(benzylthio)-6-[2-keto-2-(thiazol-2-ylamino)ethyl]pyrimidin-4-olate Formula: C16H13N4O2S2- MolecularWeight: 357.43002

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=NC=CS3

Isomeric SMILES

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

InChI

InChI=1S/C16H14N4O2S2/c21-13(19-15-17-6-7-23-15)8-12-9-14(22)20-16(18-12)24-10-11-4-2-1-3-5-11/h1-7,9H,8,10H2,(H,17,19,21)(H,18,20,22)/p-1