5-cyano-6-(4-dimethylaminophenyl)-2-[2-oxidanylidene-2-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]ethyl]sulfanyl-pyrimidin-4-olate

Systemtic Name: 5-cyano-6-(4-dimethylaminophenyl)-2-[2-oxidanylidene-2-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]ethyl]sulfanyl-pyrimidin-4-olate Openeye Name: 5-cyano-6-(4-dimethylaminophenyl)-2-[2-oxo-2-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]ethyl]sulfanyl-pyrimidin-4-olate CAS Name: 5-cyano-6-(4-dimethylaminophenyl)-2-[[2-oxo-2-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]ethyl]thio]-4-pyrimidinolate IUPAC Name: 5-cyano-6-(4-dimethylaminophenyl)-2-[2-oxo-2-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]ethyl]sulfanylpyrimidin-4-olate Traditional Name: 5-cyano-6-(4-dimethylaminophenyl)-2-[[2-keto-2-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]ethyl]thio]pyrimidin-4-olate Formula: C20H20N7O2S2- MolecularWeight: 454.5485

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(S1)NC(=O)CSC2=NC(=C(C(=N2)[O-])C#N)C3=CC=C(C=C3)N(C)C

Isomeric SMILES

CCCC1=NN=C(S1)NC(=O)CSC2=NC(=C(C(=N2)[O-])C#N)C3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C20H21N7O2S2/c1-4-5-16-25-26-20(31-16)22-15(28)11-30-19-23-17(14(10-21)18(29)24-19)12-6-8-13(9-7-12)27(2)3/h6-9H,4-5,11H2,1-3H3,(H,22,26,28)(H,23,24,29)/p-1