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

Systemtic Name: 3-[2-cyanoethyl-[5-nitro-6-(propan-2-ylamino)pyrimidin-4-yl]amino]propanenitrile Openeye Name: 3-[2-cyanoethyl-[6-(isopropylamino)-5-nitro-pyrimidin-4-yl]amino]propanenitrile CAS Name: 3-[2-cyanoethyl-[5-nitro-6-(propan-2-ylamino)-4-pyrimidinyl]amino]propanenitrile IUPAC Name: 3-[2-cyanoethyl-[5-nitro-6-(propan-2-ylamino)pyrimidin-4-yl]amino]propanenitrile Traditional Name: 3-[2-cyanoethyl-[6-(isopropylamino)-5-nitro-pyrimidin-4-yl]amino]propionitrile Formula: C13H17N7O2 MolecularWeight: 303.31978

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=C(C(=NC=N1)N(CCC#N)CCC#N)[N+](=O)[O-]

Isomeric SMILES

CC(C)NC1=C(C(=NC=N1)N(CCC#N)CCC#N)[N+](=O)[O-]

InChI

InChI=1S/C13H17N7O2/c1-10(2)18-12-11(20(21)22)13(17-9-16-12)19(7-3-5-14)8-4-6-15/h9-10H,3-4,7-8H2,1-2H3,(H,16,17,18)