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

Systemtic Name: 2-[3-(3-chloranyl-5-oxidanyl-phenyl)-4-[2-(2-hydroxyethylamino)pyrimidin-4-yl]pyrazol-1-yl]ethanenitrile Openeye Name: 2-[3-(3-chloro-5-hydroxy-phenyl)-4-[2-(2-hydroxyethylamino)pyrimidin-4-yl]pyrazol-1-yl]acetonitrile CAS Name: 2-[3-(3-chloro-5-hydroxyphenyl)-4-[2-(2-hydroxyethylamino)-4-pyrimidinyl]-1-pyrazolyl]acetonitrile IUPAC Name: 2-[3-(3-chloro-5-hydroxyphenyl)-4-[2-(2-hydroxyethylamino)pyrimidin-4-yl]pyrazol-1-yl]acetonitrile Traditional Name: 2-[3-(3-chloro-5-hydroxy-phenyl)-4-[2-(2-hydroxyethylamino)pyrimidin-4-yl]pyrazol-1-yl]acetonitrile Formula: C17H15ClN6O2 MolecularWeight: 370.793

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15ClN6O2/c18-12-7-11(8-13(26)9-12)16-14(10-24(23-16)5-2-19)15-1-3-20-17(22-15)21-4-6-25/h1,3,7-10,25-26H,4-6H2,(H,20,21,22)