3-[[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]amino]benzenecarbonitrile

Systemtic Name: 3-[[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]amino]benzenecarbonitrile Openeye Name: 3-[[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]amino]benzonitrile CAS Name: 3-[[2-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-4-quinazolinyl]amino]benzonitrile IUPAC Name: 3-[[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]amino]benzonitrile Traditional Name: 3-[[2-[[4-(2-pyrimidyl)piperazino]methyl]quinazolin-4-yl]amino]benzonitrile Formula: C24H22N8 MolecularWeight: 422.48508

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC3=CC=CC=C3C(=N2)NC4=CC=CC(=C4)C#N)C5=NC=CC=N5

Isomeric SMILES

C1CN(CCN1CC2=NC3=CC=CC=C3C(=N2)NC4=CC=CC(=C4)C#N)C5=NC=CC=N5

InChI

InChI=1S/C24H22N8/c25-16-18-5-3-6-19(15-18)28-23-20-7-1-2-8-21(20)29-22(30-23)17-31-11-13-32(14-12-31)24-26-9-4-10-27-24/h1-10,15H,11-14,17H2,(H,28,29,30)