5-ethyl-6-methyl-2-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-pyrimidin-4-olate

Systemtic Name: 5-ethyl-6-methyl-2-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-pyrimidin-4-olate Openeye Name: 2-(2-anilino-2-oxo-ethyl)sulfanyl-5-ethyl-6-methyl-pyrimidin-4-olate CAS Name: 2-[(2-anilino-2-oxoethyl)thio]-5-ethyl-6-methyl-4-pyrimidinolate IUPAC Name: 2-(2-anilino-2-oxoethyl)sulfanyl-5-ethyl-6-methylpyrimidin-4-olate Traditional Name: 2-[(2-anilino-2-keto-ethyl)thio]-5-ethyl-6-methyl-pyrimidin-4-olate Formula: C15H16N3O2S- MolecularWeight: 302.37144

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(N=C1[O-])SCC(=O)NC2=CC=CC=C2)C

Isomeric SMILES

CCC1=C(N=C(N=C1[O-])SCC(=O)NC2=CC=CC=C2)C

InChI

InChI=1S/C15H17N3O2S/c1-3-12-10(2)16-15(18-14(12)20)21-9-13(19)17-11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3,(H,17,19)(H,16,18,20)/p-1