pyridin-2-ylmethyl 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-2-methylsulfanyl-pyrimidine-5-carboxylate

Systemtic Name: pyridin-2-ylmethyl 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-2-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: 2-pyridylmethyl 4-[(3-chloro-4-methoxy-phenyl)methylamino]-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-2-(methylthio)-5-pyrimidinecarboxylic acid 2-pyridinylmethyl ester IUPAC Name: pyridin-2-ylmethyl 4-[(3-chloro-4-methoxyphenyl)methylamino]-2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-2-(methylthio)pyrimidine-5-carboxylic acid 2-pyridylmethyl ester Formula: C20H19ClN4O3S MolecularWeight: 430.90786

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=NC(=NC=C2C(=O)OCC3=CC=CC=N3)SC)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NC(=NC=C2C(=O)OCC3=CC=CC=N3)SC)Cl

InChI

InChI=1S/C20H19ClN4O3S/c1-27-17-7-6-13(9-16(17)21)10-23-18-15(11-24-20(25-18)29-2)19(26)28-12-14-5-3-4-8-22-14/h3-9,11H,10,12H2,1-2H3,(H,23,24,25)