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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C2=C(C(=NC=N2)N(CC#N)CC#N)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=CC=CC=C1)C2=C(C(=NC=N2)N(CC#N)CC#N)[N+](=O)[O-]

InChI

InChI=1S/C16H15N7O2/c1-21(11-13-5-3-2-4-6-13)15-14(23(24)25)16(20-12-19-15)22(9-7-17)10-8-18/h2-6,12H,9-11H2,1H3