2-[2-[[(2S)-1-methoxy-1-oxidanylidene-3-(phenylmethylsulfanyl)propan-2-yl]amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate

Systemtic Name: 2-[2-[[(2S)-1-methoxy-1-oxidanylidene-3-(phenylmethylsulfanyl)propan-2-yl]amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate Openeye Name: 2-[2-[[(1S)-1-(benzylsulfanylmethyl)-2-methoxy-2-oxo-ethyl]amino]-2-oxo-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate CAS Name: 2-[[2-[[(2S)-1-methoxy-1-oxo-3-(phenylmethylthio)propan-2-yl]amino]-2-oxoethyl]thio]-6-methyl-4-pyrimidinolate IUPAC Name: 2-[2-[[(2S)-3-benzylsulfanyl-1-methoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]sulfanyl-6-methylpyrimidin-4-olate Traditional Name: 2-[[2-[[(1S)-1-[(benzylthio)methyl]-2-keto-2-methoxy-ethyl]amino]-2-keto-ethyl]thio]-6-methyl-pyrimidin-4-olate Formula: C18H20N3O4S2- MolecularWeight: 406.4991

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)NC(CSCC2=CC=CC=C2)C(=O)OC)[O-]

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)N[C@H](CSCC2=CC=CC=C2)C(=O)OC)[O-]

InChI

InChI=1S/C18H21N3O4S2/c1-12-8-15(22)21-18(19-12)27-11-16(23)20-14(17(24)25-2)10-26-9-13-6-4-3-5-7-13/h3-8,14H,9-11H2,1-2H3,(H,20,23)(H,19,21,22)/p-1/t14-/m1/s1