2-methylsulfanyl-4-[(2-oxidanyl-2-phenyl-ethyl)amino]pyrimidine-5-carboxylic acid

Systemtic Name: 2-methylsulfanyl-4-[(2-oxidanyl-2-phenyl-ethyl)amino]pyrimidine-5-carboxylic acid Openeye Name: 4-[(2-hydroxy-2-phenyl-ethyl)amino]-2-methylsulfanyl-pyrimidine-5-carboxylic acid CAS Name: 4-[(2-hydroxy-2-phenylethyl)amino]-2-(methylthio)-5-pyrimidinecarboxylic acid IUPAC Name: 4-[(2-hydroxy-2-phenylethyl)amino]-2-methylsulfanylpyrimidine-5-carboxylic acid Traditional Name: 4-[(2-hydroxy-2-phenyl-ethyl)amino]-2-(methylthio)pyrimidine-5-carboxylic acid Formula: C14H15N3O3S MolecularWeight: 305.3522

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)NCC(C2=CC=CC=C2)O)C(=O)O

Isomeric SMILES

CSC1=NC=C(C(=N1)NCC(C2=CC=CC=C2)O)C(=O)O

InChI

InChI=1S/C14H15N3O3S/c1-21-14-16-7-10(13(19)20)12(17-14)15-8-11(18)9-5-3-2-4-6-9/h2-7,11,18H,8H2,1H3,(H,19,20)(H,15,16,17)