4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-methoxy-2-methylsulfanyl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-methoxy-2-methylsulfanyl-pyrimidine-5-carboxylic acid Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-6-methoxy-2-methylsulfanyl-pyrimidine-5-carboxylic acid CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-6-methoxy-2-(methylthio)-5-pyrimidinecarboxylic acid IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-6-methoxy-2-methylsulfanylpyrimidine-5-carboxylic acid Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-6-methoxy-2-(methylthio)pyrimidine-5-carboxylic acid Formula: C15H16ClN3O4S MolecularWeight: 369.82324

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=C(C(=NC(=N2)SC)OC)C(=O)O)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=C(C(=NC(=N2)SC)OC)C(=O)O)Cl

InChI

InChI=1S/C15H16ClN3O4S/c1-22-10-5-4-8(6-9(10)16)7-17-12-11(14(20)21)13(23-2)19-15(18-12)24-3/h4-6H,7H2,1-3H3,(H,20,21)(H,17,18,19)