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

Systemtic Name: 2-[cyanomethyl-[6-[(3,5-dimethylphenyl)amino]-5-nitro-pyrimidin-4-yl]amino]ethanenitrile Openeye Name: 2-[cyanomethyl-[6-(3,5-dimethylanilino)-5-nitro-pyrimidin-4-yl]amino]acetonitrile CAS Name: 2-[cyanomethyl-[6-(3,5-dimethylanilino)-5-nitro-4-pyrimidinyl]amino]acetonitrile IUPAC Name: 2-[cyanomethyl-[6-(3,5-dimethylanilino)-5-nitropyrimidin-4-yl]amino]acetonitrile Traditional Name: 2-[cyanomethyl-[6-(3,5-dimethylanilino)-5-nitro-pyrimidin-4-yl]amino]acetonitrile Formula: C16H15N7O2 MolecularWeight: 337.336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC2=C(C(=NC=N2)N(CC#N)CC#N)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)NC2=C(C(=NC=N2)N(CC#N)CC#N)[N+](=O)[O-])C

InChI

InChI=1S/C16H15N7O2/c1-11-7-12(2)9-13(8-11)21-15-14(23(24)25)16(20-10-19-15)22(5-3-17)6-4-18/h7-10H,5-6H2,1-2H3,(H,19,20,21)