3-[2-cyanoethyl-[6-[(6-methylpyridin-2-yl)amino]-5-nitro-pyrimidin-4-yl]amino]propanenitrile

Systemtic Name: 3-[2-cyanoethyl-[6-[(6-methylpyridin-2-yl)amino]-5-nitro-pyrimidin-4-yl]amino]propanenitrile Openeye Name: 3-[2-cyanoethyl-[6-[(6-methyl-2-pyridyl)amino]-5-nitro-pyrimidin-4-yl]amino]propanenitrile CAS Name: 3-[2-cyanoethyl-[6-[(6-methyl-2-pyridinyl)amino]-5-nitro-4-pyrimidinyl]amino]propanenitrile IUPAC Name: 3-[2-cyanoethyl-[6-[(6-methylpyridin-2-yl)amino]-5-nitropyrimidin-4-yl]amino]propanenitrile Traditional Name: 3-[2-cyanoethyl-[6-[(6-methyl-2-pyridyl)amino]-5-nitro-pyrimidin-4-yl]amino]propionitrile Formula: C16H16N8O2 MolecularWeight: 352.35064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N8O2/c1-12-5-2-6-13(21-12)22-15-14(24(25)26)16(20-11-19-15)23(9-3-7-17)10-4-8-18/h2,5-6,11H,3-4,9-10H2,1H3,(H,19,20,21,22)