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

Systemtic Name: 3-[[6-[butyl(methyl)amino]-5-nitro-pyrimidin-4-yl]-(2-cyanoethyl)amino]propanenitrile Openeye Name: 3-[[6-[butyl(methyl)amino]-5-nitro-pyrimidin-4-yl]-(2-cyanoethyl)amino]propanenitrile CAS Name: 3-[[6-[butyl(methyl)amino]-5-nitro-4-pyrimidinyl]-(2-cyanoethyl)amino]propanenitrile IUPAC Name: 3-[[6-[butyl(methyl)amino]-5-nitropyrimidin-4-yl]-(2-cyanoethyl)amino]propanenitrile Traditional Name: 3-[[6-[butyl(methyl)amino]-5-nitro-pyrimidin-4-yl]-(2-cyanoethyl)amino]propionitrile Formula: C15H21N7O2 MolecularWeight: 331.37294

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)C1=C(C(=NC=N1)N(CCC#N)CCC#N)[N+](=O)[O-]

Isomeric SMILES

CCCCN(C)C1=C(C(=NC=N1)N(CCC#N)CCC#N)[N+](=O)[O-]

InChI

InChI=1S/C15H21N7O2/c1-3-4-9-20(2)14-13(22(23)24)15(19-12-18-14)21(10-5-7-16)11-6-8-17/h12H,3-6,9-11H2,1-2H3