2-[4-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]amino]quinazolin-2-yl]benzenecarbonitrile

Systemtic Name: 2-[4-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]amino]quinazolin-2-yl]benzenecarbonitrile Openeye Name: 2-[4-[(5-isobutyl-1H-1,2,4-triazol-3-yl)amino]quinazolin-2-yl]benzonitrile CAS Name: 2-[4-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]amino]-2-quinazolinyl]benzonitrile IUPAC Name: 2-[4-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]amino]quinazolin-2-yl]benzonitrile Traditional Name: 2-[4-[(5-isobutyl-1H-1,2,4-triazol-3-yl)amino]quinazolin-2-yl]benzonitrile Formula: C21H19N7 MolecularWeight: 369.42246

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NC(=NN1)NC2=NC(=NC3=CC=CC=C32)C4=CC=CC=C4C#N

Isomeric SMILES

CC(C)CC1=NC(=NN1)NC2=NC(=NC3=CC=CC=C32)C4=CC=CC=C4C#N

InChI

InChI=1S/C21H19N7/c1-13(2)11-18-24-21(28-27-18)26-20-16-9-5-6-10-17(16)23-19(25-20)15-8-4-3-7-14(15)12-22/h3-10,13H,11H2,1-2H3,(H2,23,24,25,26,27,28)