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

Systemtic Name: 6-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]-2-(phenylmethylsulfanyl)pyrimidin-4-olate Openeye Name: 2-benzylsulfanyl-6-[2-(cyclopropylamino)-2-oxo-ethyl]pyrimidin-4-olate CAS Name: 6-[2-(cyclopropylamino)-2-oxoethyl]-2-(phenylmethylthio)-4-pyrimidinolate IUPAC Name: 2-benzylsulfanyl-6-[2-(cyclopropylamino)-2-oxoethyl]pyrimidin-4-olate Traditional Name: 2-(benzylthio)-6-[2-(cyclopropylamino)-2-keto-ethyl]pyrimidin-4-olate Formula: C16H16N3O2S- MolecularWeight: 314.38214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)CC2=CC(=NC(=N2)SCC3=CC=CC=C3)[O-]

Isomeric SMILES

C1CC1NC(=O)CC2=CC(=NC(=N2)SCC3=CC=CC=C3)[O-]

InChI

InChI=1S/C16H17N3O2S/c20-14(17-12-6-7-12)8-13-9-15(21)19-16(18-13)22-10-11-4-2-1-3-5-11/h1-5,9,12H,6-8,10H2,(H,17,20)(H,18,19,21)/p-1