3-[[5-azanyl-6-(pyridin-4-ylamino)pyrimidin-4-yl]-(2-cyanoethyl)amino]propanenitrile

Systemtic Name: 3-[[5-azanyl-6-(pyridin-4-ylamino)pyrimidin-4-yl]-(2-cyanoethyl)amino]propanenitrile Openeye Name: 3-[[5-amino-6-(4-pyridylamino)pyrimidin-4-yl]-(2-cyanoethyl)amino]propanenitrile CAS Name: 3-[[5-amino-6-(pyridin-4-ylamino)-4-pyrimidinyl]-(2-cyanoethyl)amino]propanenitrile IUPAC Name: 3-[[5-amino-6-(pyridin-4-ylamino)pyrimidin-4-yl]-(2-cyanoethyl)amino]propanenitrile Traditional Name: 3-[[5-amino-6-(4-pyridylamino)pyrimidin-4-yl]-(2-cyanoethyl)amino]propionitrile Formula: C15H16N8 MolecularWeight: 308.34114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1NC2=C(C(=NC=N2)N(CCC#N)CCC#N)N

Isomeric SMILES

C1=CN=CC=C1NC2=C(C(=NC=N2)N(CCC#N)CCC#N)N

InChI

InChI=1S/C15H16N8/c16-5-1-9-23(10-2-6-17)15-13(18)14(20-11-21-15)22-12-3-7-19-8-4-12/h3-4,7-8,11H,1-2,9-10,18H2,(H,19,20,21,22)