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

Systemtic Name: 2-[[6-[bis(phenylmethyl)amino]-5-nitro-pyrimidin-4-yl]-(cyanomethyl)amino]ethanenitrile Openeye Name: 2-[cyanomethyl-[6-(dibenzylamino)-5-nitro-pyrimidin-4-yl]amino]acetonitrile CAS Name: 2-[[6-[bis(phenylmethyl)amino]-5-nitro-4-pyrimidinyl]-(cyanomethyl)amino]acetonitrile IUPAC Name: 2-[cyanomethyl-[6-(dibenzylamino)-5-nitropyrimidin-4-yl]amino]acetonitrile Traditional Name: 2-[cyanomethyl-[6-(dibenzylamino)-5-nitro-pyrimidin-4-yl]amino]acetonitrile Formula: C22H19N7O2 MolecularWeight: 413.43196

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C3=NC=NC(=C3[N+](=O)[O-])N(CC#N)CC#N

Isomeric SMILES

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C3=NC=NC(=C3[N+](=O)[O-])N(CC#N)CC#N

InChI

InChI=1S/C22H19N7O2/c23-11-13-27(14-12-24)21-20(29(30)31)22(26-17-25-21)28(15-18-7-3-1-4-8-18)16-19-9-5-2-6-10-19/h1-10,17H,13-16H2