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

Systemtic Name: 3-[2-cyanoethyl-[5-nitro-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]amino]propanenitrile Openeye Name: 3-[2-cyanoethyl-[5-nitro-6-(tetrahydrofuran-2-ylmethylamino)pyrimidin-4-yl]amino]propanenitrile CAS Name: 3-[2-cyanoethyl-[5-nitro-6-(2-oxolanylmethylamino)-4-pyrimidinyl]amino]propanenitrile IUPAC Name: 3-[2-cyanoethyl-[5-nitro-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]amino]propanenitrile Traditional Name: 3-[2-cyanoethyl-[5-nitro-6-(tetrahydrofurfurylamino)pyrimidin-4-yl]amino]propionitrile Formula: C15H19N7O3 MolecularWeight: 345.35646

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC2=C(C(=NC=N2)N(CCC#N)CCC#N)[N+](=O)[O-]

Isomeric SMILES

C1CC(OC1)CNC2=C(C(=NC=N2)N(CCC#N)CCC#N)[N+](=O)[O-]

InChI

InChI=1S/C15H19N7O3/c16-5-2-7-21(8-3-6-17)15-13(22(23)24)14(19-11-20-15)18-10-12-4-1-9-25-12/h11-12H,1-4,7-10H2,(H,18,19,20)