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

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-2-methylsulfanyl-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-2-methylsulfanyl-N-(2-pyridylmethyl)pyrimidine-5-carboxamide CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-2-(methylthio)-N-(2-pyridinylmethyl)-5-pyrimidinecarboxamide IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-2-methylsulfanyl-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-2-(methylthio)-N-(2-pyridylmethyl)pyrimidine-5-carboxamide Formula: C20H20ClN5O2S MolecularWeight: 429.9231

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=NC(=NC=C2C(=O)NCC3=CC=CC=N3)SC)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NC(=NC=C2C(=O)NCC3=CC=CC=N3)SC)Cl

InChI

InChI=1S/C20H20ClN5O2S/c1-28-17-7-6-13(9-16(17)21)10-23-18-15(12-25-20(26-18)29-2)19(27)24-11-14-5-3-4-8-22-14/h3-9,12H,10-11H2,1-2H3,(H,24,27)(H,23,25,26)