4-[[4-[(E)-3-cyanoprop-1-enyl]phenyl]methyl-(2,2-dimethylpropyl)amino]pyrimidine-2-carbonitrile

Systemtic Name: 4-[[4-[(E)-3-cyanoprop-1-enyl]phenyl]methyl-(2,2-dimethylpropyl)amino]pyrimidine-2-carbonitrile Openeye Name: 4-[[4-[(E)-3-cyanoprop-1-enyl]phenyl]methyl-(2,2-dimethylpropyl)amino]pyrimidine-2-carbonitrile CAS Name: 4-[[4-[(E)-3-cyanoprop-1-enyl]phenyl]methyl-(2,2-dimethylpropyl)amino]-2-pyrimidinecarbonitrile IUPAC Name: 4-[[4-[(E)-3-cyanoprop-1-enyl]phenyl]methyl-(2,2-dimethylpropyl)amino]pyrimidine-2-carbonitrile Traditional Name: 4-[[4-[(E)-3-cyanoprop-1-enyl]benzyl]-neopentyl-amino]pyrimidine-2-carbonitrile Formula: C21H23N5 MolecularWeight: 345.44082

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CN(CC1=CC=C(C=C1)C=CCC#N)C2=NC(=NC=C2)C#N

Isomeric SMILES

CC(C)(C)CN(CC1=CC=C(C=C1)/C=C/CC#N)C2=NC(=NC=C2)C#N

InChI

InChI=1S/C21H23N5/c1-21(2,3)16-26(20-11-13-24-19(14-23)25-20)15-18-9-7-17(8-10-18)6-4-5-12-22/h4,6-11,13H,5,15-16H2,1-3H3/b6-4+