3-[[6-(butylamino)-5-nitro-pyrimidin-4-yl]-(2-cyanoethyl)amino]propanenitrile

Systemtic Name: 3-[[6-(butylamino)-5-nitro-pyrimidin-4-yl]-(2-cyanoethyl)amino]propanenitrile Openeye Name: 3-[[6-(butylamino)-5-nitro-pyrimidin-4-yl]-(2-cyanoethyl)amino]propanenitrile CAS Name: 3-[[6-(butylamino)-5-nitro-4-pyrimidinyl]-(2-cyanoethyl)amino]propanenitrile IUPAC Name: 3-[[6-(butylamino)-5-nitropyrimidin-4-yl]-(2-cyanoethyl)amino]propanenitrile Traditional Name: 3-[[6-(butylamino)-5-nitro-pyrimidin-4-yl]-(2-cyanoethyl)amino]propionitrile Formula: C14H19N7O2 MolecularWeight: 317.34636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C(=NC=N1)N(CCC#N)CCC#N)[N+](=O)[O-]

Isomeric SMILES

CCCCNC1=C(C(=NC=N1)N(CCC#N)CCC#N)[N+](=O)[O-]

InChI

InChI=1S/C14H19N7O2/c1-2-3-8-17-13-12(21(22)23)14(19-11-18-13)20(9-4-6-15)10-5-7-16/h11H,2-5,8-10H2,1H3,(H,17,18,19)