3-[1-(cyanomethyl)-4-[2-(2-hydroxyethylamino)pyrimidin-4-yl]pyrazol-3-yl]-5-oxidanyl-benzenecarbonitrile

Systemtic Name: 3-[1-(cyanomethyl)-4-[2-(2-hydroxyethylamino)pyrimidin-4-yl]pyrazol-3-yl]-5-oxidanyl-benzenecarbonitrile Openeye Name: 3-[1-(cyanomethyl)-4-[2-(2-hydroxyethylamino)pyrimidin-4-yl]pyrazol-3-yl]-5-hydroxy-benzonitrile CAS Name: 3-[1-(cyanomethyl)-4-[2-(2-hydroxyethylamino)-4-pyrimidinyl]-3-pyrazolyl]-5-hydroxybenzonitrile IUPAC Name: 3-[1-(cyanomethyl)-4-[2-(2-hydroxyethylamino)pyrimidin-4-yl]pyrazol-3-yl]-5-hydroxybenzonitrile Traditional Name: 3-[1-(cyanomethyl)-4-[2-(2-hydroxyethylamino)pyrimidin-4-yl]pyrazol-3-yl]-5-hydroxy-benzonitrile Formula: C18H15N7O2 MolecularWeight: 361.3574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N7O2/c19-2-5-25-11-15(16-1-3-21-18(23-16)22-4-6-26)17(24-25)13-7-12(10-20)8-14(27)9-13/h1,3,7-9,11,26-27H,4-6H2,(H,21,22,23)