5-chloranyl-2-methylsulfanyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-2-methylsulfanyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]pyrimidine-4-carboxamide Openeye Name: 5-chloro-2-methylsulfanyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]pyrimidine-4-carboxamide CAS Name: 5-chloro-2-(methylthio)-N-[3-[[1-oxo-2-(1-pyrazolyl)propyl]amino]phenyl]-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-2-methylsulfanyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]pyrimidine-4-carboxamide Traditional Name: 5-chloro-2-(methylthio)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]pyrimidine-4-carboxamide Formula: C18H17ClN6O2S MolecularWeight: 416.88458

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)NC(=O)C2=NC(=NC=C2Cl)SC)N3C=CC=N3

Isomeric SMILES

CC(C(=O)NC1=CC=CC(=C1)NC(=O)C2=NC(=NC=C2Cl)SC)N3C=CC=N3

InChI

InChI=1S/C18H17ClN6O2S/c1-11(25-8-4-7-21-25)16(26)22-12-5-3-6-13(9-12)23-17(27)15-14(19)10-20-18(24-15)28-2/h3-11H,1-2H3,(H,22,26)(H,23,27)