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

Systemtic Name: 2-[cyanomethyl-[6-[(2-methoxy-5-methyl-phenyl)amino]-5-nitro-pyrimidin-4-yl]amino]ethanenitrile Openeye Name: 2-[cyanomethyl-[6-(2-methoxy-5-methyl-anilino)-5-nitro-pyrimidin-4-yl]amino]acetonitrile CAS Name: 2-[cyanomethyl-[6-(2-methoxy-5-methylanilino)-5-nitro-4-pyrimidinyl]amino]acetonitrile IUPAC Name: 2-[cyanomethyl-[6-(2-methoxy-5-methylanilino)-5-nitropyrimidin-4-yl]amino]acetonitrile Traditional Name: 2-[cyanomethyl-[6-(2-methoxy-5-methyl-anilino)-5-nitro-pyrimidin-4-yl]amino]acetonitrile Formula: C16H15N7O3 MolecularWeight: 353.3354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N7O3/c1-11-3-4-13(26-2)12(9-11)21-15-14(23(24)25)16(20-10-19-15)22(7-5-17)8-6-18/h3-4,9-10H,7-8H2,1-2H3,(H,19,20,21)