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

Systemtic Name: 3-[2-cyanoethyl-(6-morpholin-4-yl-5-nitro-pyrimidin-4-yl)amino]propanenitrile Openeye Name: 3-[2-cyanoethyl-(6-morpholino-5-nitro-pyrimidin-4-yl)amino]propanenitrile CAS Name: 3-[2-cyanoethyl-[6-(4-morpholinyl)-5-nitro-4-pyrimidinyl]amino]propanenitrile IUPAC Name: 3-[2-cyanoethyl-(6-morpholin-4-yl-5-nitropyrimidin-4-yl)amino]propanenitrile Traditional Name: 3-[2-cyanoethyl-(6-morpholino-5-nitro-pyrimidin-4-yl)amino]propionitrile Formula: C14H17N7O3 MolecularWeight: 331.32988

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C(=NC=N2)N(CCC#N)CCC#N)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C(=NC=N2)N(CCC#N)CCC#N)[N+](=O)[O-]

InChI

InChI=1S/C14H17N7O3/c15-3-1-5-19(6-2-4-16)13-12(21(22)23)14(18-11-17-13)20-7-9-24-10-8-20/h11H,1-2,5-10H2