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

Systemtic Name: 2-[cyanomethyl-[5-nitro-6-[(4-propan-2-ylphenyl)amino]pyrimidin-4-yl]amino]ethanenitrile Openeye Name: 2-[cyanomethyl-[6-(4-isopropylanilino)-5-nitro-pyrimidin-4-yl]amino]acetonitrile CAS Name: 2-[cyanomethyl-[5-nitro-6-(4-propan-2-ylanilino)-4-pyrimidinyl]amino]acetonitrile IUPAC Name: 2-[cyanomethyl-[5-nitro-6-(4-propan-2-ylanilino)pyrimidin-4-yl]amino]acetonitrile Traditional Name: 2-[(6-cumidino-5-nitro-pyrimidin-4-yl)-(cyanomethyl)amino]acetonitrile Formula: C17H17N7O2 MolecularWeight: 351.36258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N7O2/c1-12(2)13-3-5-14(6-4-13)22-16-15(24(25)26)17(21-11-20-16)23(9-7-18)10-8-19/h3-6,11-12H,9-10H2,1-2H3,(H,20,21,22)