N-[3-(5-azanyl-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-5-chloranyl-2-methylsulfanyl-pyrimidine-4-carboxamide

Systemtic Name: N-[3-(5-azanyl-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-5-chloranyl-2-methylsulfanyl-pyrimidine-4-carboxamide Openeye Name: N-[3-(5-amino-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-5-chloro-2-methylsulfanyl-pyrimidine-4-carboxamide CAS Name: N-[3-(5-amino-4-cyano-1-phenyl-3-pyrazolyl)propyl]-5-chloro-2-(methylthio)-4-pyrimidinecarboxamide IUPAC Name: N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-5-chloro-2-methylsulfanylpyrimidine-4-carboxamide Traditional Name: N-[3-(5-amino-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-5-chloro-2-(methylthio)pyrimidine-4-carboxamide Formula: C19H18ClN7OS MolecularWeight: 427.91052

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(=O)NCCCC2=NN(C(=C2C#N)N)C3=CC=CC=C3)Cl

Isomeric SMILES

CSC1=NC=C(C(=N1)C(=O)NCCCC2=NN(C(=C2C#N)N)C3=CC=CC=C3)Cl

InChI

InChI=1S/C19H18ClN7OS/c1-29-19-24-11-14(20)16(25-19)18(28)23-9-5-8-15-13(10-21)17(22)27(26-15)12-6-3-2-4-7-12/h2-4,6-7,11H,5,8-9,22H2,1H3,(H,23,28)