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

Systemtic Name: 2-[cyanomethyl-[6-[(6-methylpyridin-2-yl)amino]-5-nitro-pyrimidin-4-yl]amino]ethanenitrile Openeye Name: 2-[cyanomethyl-[6-[(6-methyl-2-pyridyl)amino]-5-nitro-pyrimidin-4-yl]amino]acetonitrile CAS Name: 2-[cyanomethyl-[6-[(6-methyl-2-pyridinyl)amino]-5-nitro-4-pyrimidinyl]amino]acetonitrile IUPAC Name: 2-[cyanomethyl-[6-[(6-methylpyridin-2-yl)amino]-5-nitropyrimidin-4-yl]amino]acetonitrile Traditional Name: 2-[cyanomethyl-[6-[(6-methyl-2-pyridyl)amino]-5-nitro-pyrimidin-4-yl]amino]acetonitrile Formula: C14H12N8O2 MolecularWeight: 324.29748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12N8O2/c1-10-3-2-4-11(19-10)20-13-12(22(23)24)14(18-9-17-13)21(7-5-15)8-6-16/h2-4,9H,7-8H2,1H3,(H,17,18,19,20)