5-chloranyl-2-methylsulfanyl-N-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-2-methylsulfanyl-N-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]pyrimidine-4-carboxamide Openeye Name: N-[1-(2-benzyloxyethyl)pyrazol-4-yl]-5-chloro-2-methylsulfanyl-pyrimidine-4-carboxamide CAS Name: 5-chloro-2-(methylthio)-N-[1-(2-phenylmethoxyethyl)-4-pyrazolyl]-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-2-methylsulfanyl-N-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]pyrimidine-4-carboxamide Traditional Name: N-[1-(2-benzoxyethyl)pyrazol-4-yl]-5-chloro-2-(methylthio)pyrimidine-4-carboxamide Formula: C18H18ClN5O2S MolecularWeight: 403.88582

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(=O)NC2=CN(N=C2)CCOCC3=CC=CC=C3)Cl

Isomeric SMILES

CSC1=NC=C(C(=N1)C(=O)NC2=CN(N=C2)CCOCC3=CC=CC=C3)Cl

InChI

InChI=1S/C18H18ClN5O2S/c1-27-18-20-10-15(19)16(23-18)17(25)22-14-9-21-24(11-14)7-8-26-12-13-5-3-2-4-6-13/h2-6,9-11H,7-8,12H2,1H3,(H,22,25)