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

Systemtic Name: 3-[[5-azanyl-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]-(2-cyanoethyl)amino]propanenitrile Openeye Name: 3-[[5-amino-6-(3-pyridylmethylamino)pyrimidin-4-yl]-(2-cyanoethyl)amino]propanenitrile CAS Name: 3-[[5-amino-6-(3-pyridinylmethylamino)-4-pyrimidinyl]-(2-cyanoethyl)amino]propanenitrile IUPAC Name: 3-[[5-amino-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]-(2-cyanoethyl)amino]propanenitrile Traditional Name: 3-[[5-amino-6-(3-pyridylmethylamino)pyrimidin-4-yl]-(2-cyanoethyl)amino]propionitrile Formula: C16H18N8 MolecularWeight: 322.36772

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CNC2=C(C(=NC=N2)N(CCC#N)CCC#N)N

Isomeric SMILES

C1=CC(=CN=C1)CNC2=C(C(=NC=N2)N(CCC#N)CCC#N)N

InChI

InChI=1S/C16H18N8/c17-5-2-8-24(9-3-6-18)16-14(19)15(22-12-23-16)21-11-13-4-1-7-20-10-13/h1,4,7,10,12H,2-3,8-9,11,19H2,(H,21,22,23)