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

Systemtic Name: 3-[2-cyanoethyl-[6-[ethyl-(3-methylphenyl)amino]-5-nitro-pyrimidin-4-yl]amino]propanenitrile Openeye Name: 3-[2-cyanoethyl-[6-(N-ethyl-3-methyl-anilino)-5-nitro-pyrimidin-4-yl]amino]propanenitrile CAS Name: 3-[2-cyanoethyl-[6-(N-ethyl-3-methylanilino)-5-nitro-4-pyrimidinyl]amino]propanenitrile IUPAC Name: 3-[2-cyanoethyl-[6-(N-ethyl-3-methylanilino)-5-nitropyrimidin-4-yl]amino]propanenitrile Traditional Name: 3-[2-cyanoethyl-[6-(N-ethyl-3-methyl-anilino)-5-nitro-pyrimidin-4-yl]amino]propionitrile Formula: C19H21N7O2 MolecularWeight: 379.41574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC(=C1)C)C2=C(C(=NC=N2)N(CCC#N)CCC#N)[N+](=O)[O-]

Isomeric SMILES

CCN(C1=CC=CC(=C1)C)C2=C(C(=NC=N2)N(CCC#N)CCC#N)[N+](=O)[O-]

InChI

InChI=1S/C19H21N7O2/c1-3-25(16-8-4-7-15(2)13-16)19-17(26(27)28)18(22-14-23-19)24(11-5-9-20)12-6-10-21/h4,7-8,13-14H,3,5-6,11-12H2,1-2H3