2-[2-[[(3R)-1,1-bis(oxidanylidene)thiolan-3-yl]-phenyl-amino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[2-[[(3R)-1,1-bis(oxidanylidene)thiolan-3-yl]-phenyl-amino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-(N-[(3R)-1,1-dioxothiolan-3-yl]anilino)-2-oxo-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-(N-[(3R)-1,1-dioxo-3-thiolanyl]anilino)-2-oxoethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-(N-[(3R)-1,1-dioxothiolan-3-yl]anilino)-2-oxoethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-(N-[(3R)-1,1-diketothiolan-3-yl]anilino)-2-keto-ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C19H22N3O4S2- MolecularWeight: 420.52568

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC(=O)N(C2CCS(=O)(=O)C2)C3=CC=CC=C3)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC(=O)N([C@@H]2CCS(=O)(=O)C2)C3=CC=CC=C3)[O-]

InChI

InChI=1S/C19H23N3O4S2/c1-2-6-14-11-17(23)21-19(20-14)27-12-18(24)22(15-7-4-3-5-8-15)16-9-10-28(25,26)13-16/h3-5,7-8,11,16H,2,6,9-10,12-13H2,1H3,(H,20,21,23)/p-1/t16-/m1/s1