3-ethyl-6-oxidanylidene-2-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-5-[(2S)-pentan-2-yl]pyrimidin-4-olate

Systemtic Name: 3-ethyl-6-oxidanylidene-2-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-5-[(2S)-pentan-2-yl]pyrimidin-4-olate Openeye Name: 2-(2-anilino-2-oxo-ethyl)sulfanyl-3-ethyl-5-[(1S)-1-methylbutyl]-6-oxo-pyrimidin-4-olate CAS Name: 2-[(2-anilino-2-oxoethyl)thio]-3-ethyl-6-oxo-5-[(2S)-pentan-2-yl]-4-pyrimidinolate IUPAC Name: 2-(2-anilino-2-oxoethyl)sulfanyl-3-ethyl-6-oxo-5-[(2S)-pentan-2-yl]pyrimidin-4-olate Traditional Name: 2-[(2-anilino-2-keto-ethyl)thio]-3-ethyl-6-keto-5-[(1S)-1-methylbutyl]pyrimidin-4-olate Formula: C19H24N3O3S- MolecularWeight: 374.47716

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C1=C(N(C(=NC1=O)SCC(=O)NC2=CC=CC=C2)CC)[O-]

Isomeric SMILES

CCC[C@H](C)C1=C(N(C(=NC1=O)SCC(=O)NC2=CC=CC=C2)CC)[O-]

InChI

InChI=1S/C19H25N3O3S/c1-4-9-13(3)16-17(24)21-19(22(5-2)18(16)25)26-12-15(23)20-14-10-7-6-8-11-14/h6-8,10-11,13,25H,4-5,9,12H2,1-3H3,(H,20,23)/p-1/t13-/m0/s1