2-[2-[[(1R)-2-methoxy-2-oxidanylidene-1-phenyl-ethyl]amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate

Systemtic Name: 2-[2-[[(1R)-2-methoxy-2-oxidanylidene-1-phenyl-ethyl]amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate Openeye Name: 2-[2-[[(1R)-2-methoxy-2-oxo-1-phenyl-ethyl]amino]-2-oxo-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate CAS Name: 2-[[2-[[(1R)-2-methoxy-2-oxo-1-phenylethyl]amino]-2-oxoethyl]thio]-6-methyl-4-pyrimidinolate IUPAC Name: 2-[2-[[(1R)-2-methoxy-2-oxo-1-phenylethyl]amino]-2-oxoethyl]sulfanyl-6-methylpyrimidin-4-olate Traditional Name: 2-[[2-keto-2-[[(1R)-2-keto-2-methoxy-1-phenyl-ethyl]amino]ethyl]thio]-6-methyl-pyrimidin-4-olate Formula: C16H16N3O4S- MolecularWeight: 346.38094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)NC(C2=CC=CC=C2)C(=O)OC)[O-]

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)N[C@H](C2=CC=CC=C2)C(=O)OC)[O-]

InChI

InChI=1S/C16H17N3O4S/c1-10-8-12(20)19-16(17-10)24-9-13(21)18-14(15(22)23-2)11-6-4-3-5-7-11/h3-8,14H,9H2,1-2H3,(H,18,21)(H,17,19,20)/p-1/t14-/m1/s1