2-[4-(2-azanylpyrimidin-4-yl)-3-(3-chloranyl-5-oxidanyl-phenyl)pyrazol-1-yl]ethanenitrile

Systemtic Name: 2-[4-(2-azanylpyrimidin-4-yl)-3-(3-chloranyl-5-oxidanyl-phenyl)pyrazol-1-yl]ethanenitrile Openeye Name: 2-[4-(2-aminopyrimidin-4-yl)-3-(3-chloro-5-hydroxy-phenyl)pyrazol-1-yl]acetonitrile CAS Name: 2-[4-(2-amino-4-pyrimidinyl)-3-(3-chloro-5-hydroxyphenyl)-1-pyrazolyl]acetonitrile IUPAC Name: 2-[4-(2-aminopyrimidin-4-yl)-3-(3-chloro-5-hydroxyphenyl)pyrazol-1-yl]acetonitrile Traditional Name: 2-[4-(2-aminopyrimidin-4-yl)-3-(3-chloro-5-hydroxy-phenyl)pyrazol-1-yl]acetonitrile Formula: C15H11ClN6O MolecularWeight: 326.74044

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1C2=CN(N=C2C3=CC(=CC(=C3)Cl)O)CC#N)N

Isomeric SMILES

C1=CN=C(N=C1C2=CN(N=C2C3=CC(=CC(=C3)Cl)O)CC#N)N

InChI

InChI=1S/C15H11ClN6O/c16-10-5-9(6-11(23)7-10)14-12(8-22(21-14)4-2-17)13-1-3-19-15(18)20-13/h1,3,5-8,23H,4H2,(H2,18,19,20)