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

Systemtic Name: 3-[[4-[[2-(4-methylphenyl)-2-oxidanyl-ethyl]amino]pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 3-[[4-[[2-hydroxy-2-(p-tolyl)ethyl]amino]pyrimidin-2-yl]amino]benzonitrile CAS Name: 3-[[4-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]-2-pyrimidinyl]amino]benzonitrile IUPAC Name: 3-[[4-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]pyrimidin-2-yl]amino]benzonitrile Traditional Name: 3-[[4-[[2-hydroxy-2-(p-tolyl)ethyl]amino]pyrimidin-2-yl]amino]benzonitrile Formula: C20H19N5O MolecularWeight: 345.39776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CNC2=NC(=NC=C2)NC3=CC=CC(=C3)C#N)O

Isomeric SMILES

CC1=CC=C(C=C1)C(CNC2=NC(=NC=C2)NC3=CC=CC(=C3)C#N)O

InChI

InChI=1S/C20H19N5O/c1-14-5-7-16(8-6-14)18(26)13-23-19-9-10-22-20(25-19)24-17-4-2-3-15(11-17)12-21/h2-11,18,26H,13H2,1H3,(H2,22,23,24,25)