3-[[4-[(2-oxidanyl-2-phenyl-ethyl)amino]pyrimidin-2-yl]amino]benzenecarbonitrile

Systemtic Name: 3-[[4-[(2-oxidanyl-2-phenyl-ethyl)amino]pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 3-[[4-[(2-hydroxy-2-phenyl-ethyl)amino]pyrimidin-2-yl]amino]benzonitrile CAS Name: 3-[[4-[(2-hydroxy-2-phenylethyl)amino]-2-pyrimidinyl]amino]benzonitrile IUPAC Name: 3-[[4-[(2-hydroxy-2-phenylethyl)amino]pyrimidin-2-yl]amino]benzonitrile Traditional Name: 3-[[4-[(2-hydroxy-2-phenyl-ethyl)amino]pyrimidin-2-yl]amino]benzonitrile Formula: C19H17N5O MolecularWeight: 331.37118

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CNC2=NC(=NC=C2)NC3=CC=CC(=C3)C#N)O

Isomeric SMILES

C1=CC=C(C=C1)C(CNC2=NC(=NC=C2)NC3=CC=CC(=C3)C#N)O

InChI

InChI=1S/C19H17N5O/c20-12-14-5-4-8-16(11-14)23-19-21-10-9-18(24-19)22-13-17(25)15-6-2-1-3-7-15/h1-11,17,25H,13H2,(H2,21,22,23,24)