4-[(4-ethylphenyl)amino]-2-methylsulfanyl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-[(4-ethylphenyl)amino]-2-methylsulfanyl-pyrimidine-5-carboxylic acid Openeye Name: 4-(4-ethylanilino)-2-methylsulfanyl-pyrimidine-5-carboxylic acid CAS Name: 4-(4-ethylanilino)-2-(methylthio)-5-pyrimidinecarboxylic acid IUPAC Name: 4-(4-ethylanilino)-2-methylsulfanylpyrimidine-5-carboxylic acid Traditional Name: 4-(4-ethylanilino)-2-(methylthio)pyrimidine-5-carboxylic acid Formula: C14H15N3O2S MolecularWeight: 289.3528

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC2=NC(=NC=C2C(=O)O)SC

Isomeric SMILES

CCC1=CC=C(C=C1)NC2=NC(=NC=C2C(=O)O)SC

InChI

InChI=1S/C14H15N3O2S/c1-3-9-4-6-10(7-5-9)16-12-11(13(18)19)8-15-14(17-12)20-2/h4-8H,3H2,1-2H3,(H,18,19)(H,15,16,17)