4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-2-methylsulfanyl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-2-methylsulfanyl-pyrimidine-5-carboxylic acid Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-2-methylsulfanyl-pyrimidine-5-carboxylic acid CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-2-(methylthio)-5-pyrimidinecarboxylic acid IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-2-methylsulfanylpyrimidine-5-carboxylic acid Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-2-(methylthio)pyrimidine-5-carboxylic acid Formula: C14H14ClN3O3S MolecularWeight: 339.79726

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=NC(=NC=C2C(=O)O)SC)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NC(=NC=C2C(=O)O)SC)Cl

InChI

InChI=1S/C14H14ClN3O3S/c1-21-11-4-3-8(5-10(11)15)6-16-12-9(13(19)20)7-17-14(18-12)22-2/h3-5,7H,6H2,1-2H3,(H,19,20)(H,16,17,18)