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

Systemtic Name: N-(2,6-dimethylphenyl)-2-[ethyl-[6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]amino]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[ethyl-[6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]amino]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[ethyl-[6-(4-methyl-1-piperazinyl)-5-nitro-4-pyrimidinyl]amino]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[ethyl-[6-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-yl]amino]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[ethyl-[6-(4-methylpiperazino)-5-nitro-pyrimidin-4-yl]amino]acetamide Formula: C21H29N7O3 MolecularWeight: 427.50006

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)NC1=C(C=CC=C1C)C)C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C

Isomeric SMILES

CCN(CC(=O)NC1=C(C=CC=C1C)C)C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C

InChI

InChI=1S/C21H29N7O3/c1-5-26(13-17(29)24-18-15(2)7-6-8-16(18)3)20-19(28(30)31)21(23-14-22-20)27-11-9-25(4)10-12-27/h6-8,14H,5,9-13H2,1-4H3,(H,24,29)