2-methylsulfanyl-4-phenoxy-pyrimidine-5-carboxylic acid; phenol

Systemtic Name: 2-methylsulfanyl-4-phenoxy-pyrimidine-5-carboxylic acid; phenol Openeye Name: 2-methylsulfanyl-4-phenoxy-pyrimidine-5-carboxylic acid; phenol CAS Name: 2-(methylthio)-4-phenoxy-5-pyrimidinecarboxylic acid; phenol IUPAC Name: 2-methylsulfanyl-4-phenoxypyrimidine-5-carboxylic acid; phenol Traditional Name: 2-(methylthio)-4-phenoxy-pyrimidine-5-carboxylic acid; phenol Formula: C18H16N2O4S MolecularWeight: 356.39564

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)OC2=CC=CC=C2)C(=O)O.C1=CC=C(C=C1)O

Isomeric SMILES

CSC1=NC=C(C(=N1)OC2=CC=CC=C2)C(=O)O.C1=CC=C(C=C1)O

InChI

InChI=1S/C12H10N2O3S.C6H6O/c1-18-12-13-7-9(11(15)16)10(14-12)17-8-5-3-2-4-6-8;7-6-4-2-1-3-5-6/h2-7H,1H3,(H,15,16);1-5,7H