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

Systemtic Name: 2-[cyanomethyl-[5-nitro-6-[(phenylmethyl)amino]pyrimidin-4-yl]amino]ethanenitrile Openeye Name: 2-[[6-(benzylamino)-5-nitro-pyrimidin-4-yl]-(cyanomethyl)amino]acetonitrile CAS Name: 2-[cyanomethyl-[5-nitro-6-[(phenylmethyl)amino]-4-pyrimidinyl]amino]acetonitrile IUPAC Name: 2-[[6-(benzylamino)-5-nitropyrimidin-4-yl]-(cyanomethyl)amino]acetonitrile Traditional Name: 2-[[6-(benzylamino)-5-nitro-pyrimidin-4-yl]-(cyanomethyl)amino]acetonitrile Formula: C15H13N7O2 MolecularWeight: 323.30942

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C(C(=NC=N2)N(CC#N)CC#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(C(=NC=N2)N(CC#N)CC#N)[N+](=O)[O-]

InChI

InChI=1S/C15H13N7O2/c16-6-8-21(9-7-17)15-13(22(23)24)14(19-11-20-15)18-10-12-4-2-1-3-5-12/h1-5,11H,8-10H2,(H,18,19,20)