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

Systemtic Name: 3-[2-cyanoethyl-[5-nitro-6-[(phenylmethyl)amino]pyrimidin-4-yl]amino]propanenitrile Openeye Name: 3-[[6-(benzylamino)-5-nitro-pyrimidin-4-yl]-(2-cyanoethyl)amino]propanenitrile CAS Name: 3-[2-cyanoethyl-[5-nitro-6-[(phenylmethyl)amino]-4-pyrimidinyl]amino]propanenitrile IUPAC Name: 3-[[6-(benzylamino)-5-nitropyrimidin-4-yl]-(2-cyanoethyl)amino]propanenitrile Traditional Name: 3-[[6-(benzylamino)-5-nitro-pyrimidin-4-yl]-(2-cyanoethyl)amino]propionitrile Formula: C17H17N7O2 MolecularWeight: 351.36258

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C(C(=NC=N2)N(CCC#N)CCC#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(C(=NC=N2)N(CCC#N)CCC#N)[N+](=O)[O-]

InChI

InChI=1S/C17H17N7O2/c18-8-4-10-23(11-5-9-19)17-15(24(25)26)16(21-13-22-17)20-12-14-6-2-1-3-7-14/h1-3,6-7,13H,4-5,10-12H2,(H,20,21,22)