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

Systemtic Name: 2-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate Openeye Name: 2-[2-oxo-2-(2-thienylmethylamino)ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate CAS Name: 2-[[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]thio]-6-phenyl-4-pyrimidinolate IUPAC Name: 2-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]sulfanyl-6-phenylpyrimidin-4-olate Traditional Name: 2-[[2-keto-2-(2-thenylamino)ethyl]thio]-6-phenyl-pyrimidin-4-olate Formula: C17H14N3O2S2- MolecularWeight: 356.44196

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC(=N2)SCC(=O)NCC3=CC=CS3)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC(=N2)SCC(=O)NCC3=CC=CS3)[O-]

InChI

InChI=1S/C17H15N3O2S2/c21-15-9-14(12-5-2-1-3-6-12)19-17(20-15)24-11-16(22)18-10-13-7-4-8-23-13/h1-9H,10-11H2,(H,18,22)(H,19,20,21)/p-1