4-[(2-chlorophenyl)amino]-5-(hydroxymethyl)-2-methylsulfanyl-4H-pyrimidine-3-carboxamide

Systemtic Name: 4-[(2-chlorophenyl)amino]-5-(hydroxymethyl)-2-methylsulfanyl-4H-pyrimidine-3-carboxamide Openeye Name: 4-(2-chloroanilino)-5-(hydroxymethyl)-2-methylsulfanyl-4H-pyrimidine-3-carboxamide CAS Name: 4-(2-chloroanilino)-5-(hydroxymethyl)-2-(methylthio)-4H-pyrimidine-3-carboxamide IUPAC Name: 4-(2-chloroanilino)-5-(hydroxymethyl)-2-methylsulfanyl-4H-pyrimidine-3-carboxamide Traditional Name: 4-(2-chloroanilino)-5-methylol-2-(methylthio)-4H-pyrimidine-3-carboxamide Formula: C13H15ClN4O2S MolecularWeight: 326.8018

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(N1C(=O)N)NC2=CC=CC=C2Cl)CO

Isomeric SMILES

CSC1=NC=C(C(N1C(=O)N)NC2=CC=CC=C2Cl)CO

InChI

InChI=1S/C13H15ClN4O2S/c1-21-13-16-6-8(7-19)11(18(13)12(15)20)17-10-5-3-2-4-9(10)14/h2-6,11,17,19H,7H2,1H3,(H2,15,20)