4-[2-(2-azanylpyrimidin-4-yl)-4-cyano-5-methylsulfanyl-thiophen-3-yl]benzoic acid

Systemtic Name: 4-[2-(2-azanylpyrimidin-4-yl)-4-cyano-5-methylsulfanyl-thiophen-3-yl]benzoic acid Openeye Name: 4-[2-(2-aminopyrimidin-4-yl)-4-cyano-5-methylsulfanyl-3-thienyl]benzoic acid CAS Name: 4-[2-(2-amino-4-pyrimidinyl)-4-cyano-5-(methylthio)-3-thiophenyl]benzoic acid IUPAC Name: 4-[2-(2-aminopyrimidin-4-yl)-4-cyano-5-methylsulfanylthiophen-3-yl]benzoic acid Traditional Name: 4-[2-(2-aminopyrimidin-4-yl)-4-cyano-5-(methylthio)-3-thienyl]benzoic acid Formula: C17H12N4O2S2 MolecularWeight: 368.43278

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=C(S1)C2=NC(=NC=C2)N)C3=CC=C(C=C3)C(=O)O)C#N

Isomeric SMILES

CSC1=C(C(=C(S1)C2=NC(=NC=C2)N)C3=CC=C(C=C3)C(=O)O)C#N

InChI

InChI=1S/C17H12N4O2S2/c1-24-16-11(8-18)13(9-2-4-10(5-3-9)15(22)23)14(25-16)12-6-7-20-17(19)21-12/h2-7H,1H3,(H,22,23)(H2,19,20,21)