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

Systemtic Name: 3-[2-cyanoethyl-[6-[(2,5-dimethylphenyl)amino]-5-nitro-pyrimidin-4-yl]amino]propanenitrile Openeye Name: 3-[2-cyanoethyl-[6-(2,5-dimethylanilino)-5-nitro-pyrimidin-4-yl]amino]propanenitrile CAS Name: 3-[2-cyanoethyl-[6-(2,5-dimethylanilino)-5-nitro-4-pyrimidinyl]amino]propanenitrile IUPAC Name: 3-[2-cyanoethyl-[6-(2,5-dimethylanilino)-5-nitropyrimidin-4-yl]amino]propanenitrile Traditional Name: 3-[2-cyanoethyl-[6-(2,5-dimethylanilino)-5-nitro-pyrimidin-4-yl]amino]propionitrile Formula: C18H19N7O2 MolecularWeight: 365.38916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N7O2/c1-13-5-6-14(2)15(11-13)23-17-16(25(26)27)18(22-12-21-17)24(9-3-7-19)10-4-8-20/h5-6,11-12H,3-4,9-10H2,1-2H3,(H,21,22,23)