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

Systemtic Name: 2-azanyl-3-[4-[(2-oxidanyl-2-phenyl-ethyl)amino]pyrimidin-2-yl]benzenecarbonitrile Openeye Name: 2-amino-3-[4-[(2-hydroxy-2-phenyl-ethyl)amino]pyrimidin-2-yl]benzonitrile CAS Name: 2-amino-3-[4-[(2-hydroxy-2-phenylethyl)amino]-2-pyrimidinyl]benzonitrile IUPAC Name: 2-amino-3-[4-[(2-hydroxy-2-phenylethyl)amino]pyrimidin-2-yl]benzonitrile Traditional Name: 2-amino-3-[4-[(2-hydroxy-2-phenyl-ethyl)amino]pyrimidin-2-yl]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)C3=CC=CC(=C3N)C#N)O

Isomeric SMILES

C1=CC=C(C=C1)C(CNC2=NC(=NC=C2)C3=CC=CC(=C3N)C#N)O

InChI

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