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

Systemtic Name: 2-[cyanomethyl-[5-nitro-6-(phenethylamino)pyrimidin-4-yl]amino]ethanenitrile Openeye Name: 2-[cyanomethyl-[5-nitro-6-(phenethylamino)pyrimidin-4-yl]amino]acetonitrile CAS Name: 2-[cyanomethyl-[5-nitro-6-(phenethylamino)-4-pyrimidinyl]amino]acetonitrile IUPAC Name: 2-[cyanomethyl-[5-nitro-6-(phenethylamino)pyrimidin-4-yl]amino]acetonitrile Traditional Name: 2-[cyanomethyl-[5-nitro-6-(phenethylamino)pyrimidin-4-yl]amino]acetonitrile Formula: C16H15N7O2 MolecularWeight: 337.336

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC2=C(C(=NC=N2)N(CC#N)CC#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCNC2=C(C(=NC=N2)N(CC#N)CC#N)[N+](=O)[O-]

InChI

InChI=1S/C16H15N7O2/c17-7-10-22(11-8-18)16-14(23(24)25)15(20-12-21-16)19-9-6-13-4-2-1-3-5-13/h1-5,12H,6,9-11H2,(H,19,20,21)