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2-[cyanomethyl-[5-nitro-6-(pyridin-4-ylamino)pyrimidin-4-yl]amino]ethanenitrile

2-[cyanomethyl-[5-nitro-6-(pyridin-4-ylamino)pyrimidin-4-yl]amino]ethanenitrile

Systemtic Name:2-[cyanomethyl-[5-nitro-6-(pyridin-4-ylamino)pyrimidin-4-yl]amino]ethanenitrile
Openeye Name:2-[cyanomethyl-[5-nitro-6-(4-pyridylamino)pyrimidin-4-yl]amino]acetonitrile
CAS Name:2-[cyanomethyl-[5-nitro-6-(pyridin-4-ylamino)-4-pyrimidinyl]amino]acetonitrile
IUPAC Name:2-[cyanomethyl-[5-nitro-6-(pyridin-4-ylamino)pyrimidin-4-yl]amino]acetonitrile
Traditional Name:2-[cyanomethyl-[5-nitro-6-(4-pyridylamino)pyrimidin-4-yl]amino]acetonitrile
Formula: C13H10N8O2
MolecularWeight: 310.2709
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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1NC2=C(C(=NC=N2)N(CC#N)CC#N)[N+](=O)[O-]


Isomeric SMILES

C1=CN=CC=C1NC2=C(C(=NC=N2)N(CC#N)CC#N)[N+](=O)[O-]


InChI

InChI=1S/C13H10N8O2/c14-3-7-20(8-4-15)13-11(21(22)23)12(17-9-18-13)19-10-1-5-16-6-2-10/h1-2,5-6,9H,7-8H2,(H,16,17,18,19)


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