4-[[1-(4-methoxyphenyl)-3-oxidanyl-propan-2-yl]amino]-2-methylsulfanyl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-[[1-(4-methoxyphenyl)-3-oxidanyl-propan-2-yl]amino]-2-methylsulfanyl-pyrimidine-5-carboxylic acid Openeye Name: 4-[[1-(hydroxymethyl)-2-(4-methoxyphenyl)ethyl]amino]-2-methylsulfanyl-pyrimidine-5-carboxylic acid CAS Name: 4-[[1-hydroxy-3-(4-methoxyphenyl)propan-2-yl]amino]-2-(methylthio)-5-pyrimidinecarboxylic acid IUPAC Name: 4-[[1-hydroxy-3-(4-methoxyphenyl)propan-2-yl]amino]-2-methylsulfanylpyrimidine-5-carboxylic acid Traditional Name: 4-[[2-(4-methoxyphenyl)-1-methylol-ethyl]amino]-2-(methylthio)pyrimidine-5-carboxylic acid Formula: C16H19N3O4S MolecularWeight: 349.40476

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(CO)NC2=NC(=NC=C2C(=O)O)SC

Isomeric SMILES

COC1=CC=C(C=C1)CC(CO)NC2=NC(=NC=C2C(=O)O)SC

InChI

InChI=1S/C16H19N3O4S/c1-23-12-5-3-10(4-6-12)7-11(9-20)18-14-13(15(21)22)8-17-16(19-14)24-2/h3-6,8,11,20H,7,9H2,1-2H3,(H,21,22)(H,17,18,19)