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

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

Systemtic Name:2-[cyanomethyl-[6-(cyclohexylamino)-5-nitro-pyrimidin-4-yl]amino]ethanenitrile
Openeye Name:2-[cyanomethyl-[6-(cyclohexylamino)-5-nitro-pyrimidin-4-yl]amino]acetonitrile
CAS Name:2-[cyanomethyl-[6-(cyclohexylamino)-5-nitro-4-pyrimidinyl]amino]acetonitrile
IUPAC Name:2-[cyanomethyl-[6-(cyclohexylamino)-5-nitropyrimidin-4-yl]amino]acetonitrile
Traditional Name:2-[cyanomethyl-[6-(cyclohexylamino)-5-nitro-pyrimidin-4-yl]amino]acetonitrile
Formula: C14H17N7O2
MolecularWeight: 315.33048
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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=C(C(=NC=N2)N(CC#N)CC#N)[N+](=O)[O-]


Isomeric SMILES

C1CCC(CC1)NC2=C(C(=NC=N2)N(CC#N)CC#N)[N+](=O)[O-]


InChI

InChI=1S/C14H17N7O2/c15-6-8-20(9-7-16)14-12(21(22)23)13(17-10-18-14)19-11-4-2-1-3-5-11/h10-11H,1-5,8-9H2,(H,17,18,19)


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