2-[cyanomethyl-[5-nitro-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]amino]ethanenitrile

Systemtic Name: 2-[cyanomethyl-[5-nitro-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]amino]ethanenitrile Openeye Name: 2-[cyanomethyl-[5-nitro-6-(tetrahydrofuran-2-ylmethylamino)pyrimidin-4-yl]amino]acetonitrile CAS Name: 2-[cyanomethyl-[5-nitro-6-(2-oxolanylmethylamino)-4-pyrimidinyl]amino]acetonitrile IUPAC Name: 2-[cyanomethyl-[5-nitro-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]amino]acetonitrile Traditional Name: 2-[cyanomethyl-[5-nitro-6-(tetrahydrofurfurylamino)pyrimidin-4-yl]amino]acetonitrile Formula: C13H15N7O3 MolecularWeight: 317.3033

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N7O3/c14-3-5-19(6-4-15)13-11(20(21)22)12(17-9-18-13)16-8-10-2-1-7-23-10/h9-10H,1-2,5-8H2,(H,16,17,18)