2-[cyanomethyl-[6-(2,3-dihydroindol-1-yl)-5-nitro-pyrimidin-4-yl]amino]ethanenitrile

Systemtic Name: 2-[cyanomethyl-[6-(2,3-dihydroindol-1-yl)-5-nitro-pyrimidin-4-yl]amino]ethanenitrile Openeye Name: 2-[cyanomethyl-(6-indolin-1-yl-5-nitro-pyrimidin-4-yl)amino]acetonitrile CAS Name: 2-[cyanomethyl-[6-(2,3-dihydroindol-1-yl)-5-nitro-4-pyrimidinyl]amino]acetonitrile IUPAC Name: 2-[cyanomethyl-[6-(2,3-dihydroindol-1-yl)-5-nitropyrimidin-4-yl]amino]acetonitrile Traditional Name: 2-[cyanomethyl-(6-indolin-1-yl-5-nitro-pyrimidin-4-yl)amino]acetonitrile Formula: C16H13N7O2 MolecularWeight: 335.32012

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C21)C3=C(C(=NC=N3)N(CC#N)CC#N)[N+](=O)[O-]

Isomeric SMILES

C1CN(C2=CC=CC=C21)C3=C(C(=NC=N3)N(CC#N)CC#N)[N+](=O)[O-]

InChI

InChI=1S/C16H13N7O2/c17-6-9-21(10-7-18)15-14(23(24)25)16(20-11-19-15)22-8-5-12-3-1-2-4-13(12)22/h1-4,11H,5,8-10H2