N-[3-(5-azanyl-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanamide

Systemtic Name: N-[3-(5-azanyl-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanamide Openeye Name: N-[3-(5-amino-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanamide CAS Name: N-[3-(5-amino-4-cyano-1-phenyl-3-pyrazolyl)propyl]-3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]propanamide IUPAC Name: N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide Traditional Name: N-[3-(5-amino-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]propionamide Formula: C23H27N7OS MolecularWeight: 449.57178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NCCCC2=NN(C(=C2C#N)N)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NCCCC2=NN(C(=C2C#N)N)C3=CC=CC=C3

InChI

InChI=1S/C23H27N7OS/c1-15-18(16(2)28-23(27-15)32-3)11-12-21(31)26-13-7-10-20-19(14-24)22(25)30(29-20)17-8-5-4-6-9-17/h4-6,8-9H,7,10-13,25H2,1-3H3,(H,26,31)