N-(2,6-dimethylphenyl)-2-[ethyl-(5-nitro-6-piperidin-1-yl-pyrimidin-4-yl)amino]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[ethyl-(5-nitro-6-piperidin-1-yl-pyrimidin-4-yl)amino]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[ethyl-[5-nitro-6-(1-piperidyl)pyrimidin-4-yl]amino]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[ethyl-[5-nitro-6-(1-piperidinyl)-4-pyrimidinyl]amino]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[ethyl-(5-nitro-6-piperidin-1-ylpyrimidin-4-yl)amino]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[ethyl-(5-nitro-6-piperidino-pyrimidin-4-yl)amino]acetamide Formula: C21H28N6O3 MolecularWeight: 412.48542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)NC1=C(C=CC=C1C)C)C2=NC=NC(=C2[N+](=O)[O-])N3CCCCC3

Isomeric SMILES

CCN(CC(=O)NC1=C(C=CC=C1C)C)C2=NC=NC(=C2[N+](=O)[O-])N3CCCCC3

InChI

InChI=1S/C21H28N6O3/c1-4-25(13-17(28)24-18-15(2)9-8-10-16(18)3)20-19(27(29)30)21(23-14-22-20)26-11-6-5-7-12-26/h8-10,14H,4-7,11-13H2,1-3H3,(H,24,28)