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

Systemtic Name: 2-[cyanomethyl-[6-[(3-methoxyphenyl)amino]-5-nitro-pyrimidin-4-yl]amino]ethanenitrile Openeye Name: 2-[cyanomethyl-[6-(3-methoxyanilino)-5-nitro-pyrimidin-4-yl]amino]acetonitrile CAS Name: 2-[cyanomethyl-[6-(3-methoxyanilino)-5-nitro-4-pyrimidinyl]amino]acetonitrile IUPAC Name: 2-[cyanomethyl-[6-(3-methoxyanilino)-5-nitropyrimidin-4-yl]amino]acetonitrile Traditional Name: 2-[cyanomethyl-[6-(m-anisidino)-5-nitro-pyrimidin-4-yl]amino]acetonitrile Formula: C15H13N7O3 MolecularWeight: 339.30882

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC2=C(C(=NC=N2)N(CC#N)CC#N)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)NC2=C(C(=NC=N2)N(CC#N)CC#N)[N+](=O)[O-]

InChI

InChI=1S/C15H13N7O3/c1-25-12-4-2-3-11(9-12)20-14-13(22(23)24)15(19-10-18-14)21(7-5-16)8-6-17/h2-4,9-10H,7-8H2,1H3,(H,18,19,20)