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

Systemtic Name: 3-[(6-azanyl-5-nitro-pyrimidin-4-yl)-(2-cyanoethyl)amino]propanenitrile Openeye Name: 3-[(6-amino-5-nitro-pyrimidin-4-yl)-(2-cyanoethyl)amino]propanenitrile CAS Name: 3-[(6-amino-5-nitro-4-pyrimidinyl)-(2-cyanoethyl)amino]propanenitrile IUPAC Name: 3-[(6-amino-5-nitropyrimidin-4-yl)-(2-cyanoethyl)amino]propanenitrile Traditional Name: 3-[(6-amino-5-nitro-pyrimidin-4-yl)-(2-cyanoethyl)amino]propionitrile Formula: C10H11N7O2 MolecularWeight: 261.24004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H11N7O2/c11-3-1-5-16(6-2-4-12)10-8(17(18)19)9(13)14-7-15-10/h7H,1-2,5-6H2,(H2,13,14,15)