6-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]-2-(phenylmethylsulfanyl)pyrimidin-4-olate

Systemtic Name: 6-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]-2-(phenylmethylsulfanyl)pyrimidin-4-olate Openeye Name: 2-benzylsulfanyl-6-[2-oxo-2-(2-thienylmethylamino)ethyl]pyrimidin-4-olate CAS Name: 6-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-2-(phenylmethylthio)-4-pyrimidinolate IUPAC Name: 2-benzylsulfanyl-6-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]pyrimidin-4-olate Traditional Name: 2-(benzylthio)-6-[2-keto-2-(2-thenylamino)ethyl]pyrimidin-4-olate Formula: C18H16N3O2S2- MolecularWeight: 370.46854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O2S2/c22-16(19-11-15-7-4-8-24-15)9-14-10-17(23)21-18(20-14)25-12-13-5-2-1-3-6-13/h1-8,10H,9,11-12H2,(H,19,22)(H,20,21,23)/p-1