2-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-6-phenyl-pyrimidin-4-olate

Systemtic Name: 2-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-6-phenyl-pyrimidin-4-olate Openeye Name: 2-(2-amino-2-oxo-ethyl)sulfanyl-6-phenyl-pyrimidin-4-olate CAS Name: 2-[(2-amino-2-oxoethyl)thio]-6-phenyl-4-pyrimidinolate IUPAC Name: 2-(2-amino-2-oxoethyl)sulfanyl-6-phenylpyrimidin-4-olate Traditional Name: 2-[(2-amino-2-keto-ethyl)thio]-6-phenyl-pyrimidin-4-olate Formula: C12H10N3O2S- MolecularWeight: 260.2917

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11N3O2S/c13-10(16)7-18-12-14-9(6-11(17)15-12)8-4-2-1-3-5-8/h1-6H,7H2,(H2,13,16)(H,14,15,17)/p-1