2-[[5-azanyl-6-(tert-butylamino)pyrimidin-4-yl]-(cyanomethyl)amino]ethanenitrile

Systemtic Name: 2-[[5-azanyl-6-(tert-butylamino)pyrimidin-4-yl]-(cyanomethyl)amino]ethanenitrile Openeye Name: 2-[[5-amino-6-(tert-butylamino)pyrimidin-4-yl]-(cyanomethyl)amino]acetonitrile CAS Name: 2-[[5-amino-6-(tert-butylamino)-4-pyrimidinyl]-(cyanomethyl)amino]acetonitrile IUPAC Name: 2-[[5-amino-6-(tert-butylamino)pyrimidin-4-yl]-(cyanomethyl)amino]acetonitrile Traditional Name: 2-[[5-amino-6-(tert-butylamino)pyrimidin-4-yl]-(cyanomethyl)amino]acetonitrile Formula: C12H17N7 MolecularWeight: 259.31028

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC1=C(C(=NC=N1)N(CC#N)CC#N)N

Isomeric SMILES

CC(C)(C)NC1=C(C(=NC=N1)N(CC#N)CC#N)N

InChI

InChI=1S/C12H17N7/c1-12(2,3)18-10-9(15)11(17-8-16-10)19(6-4-13)7-5-14/h8H,6-7,15H2,1-3H3,(H,16,17,18)