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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CNC2=C(C(=C(C=C2)C#N)N)C3=NC=CC=N3)O

Isomeric SMILES

C1=CC=C(C=C1)C(CNC2=C(C(=C(C=C2)C#N)N)C3=NC=CC=N3)O

InChI

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