N,N-dimethyl-2-[[5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-yl]amino]ethanamide

Systemtic Name: N,N-dimethyl-2-[[5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-yl]amino]ethanamide Openeye Name: 2-[[6-(4-benzylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]amino]-N,N-dimethyl-acetamide CAS Name: N,N-dimethyl-2-[[5-nitro-6-[4-(phenylmethyl)-1-piperazinyl]-4-pyrimidinyl]amino]acetamide IUPAC Name: 2-[[6-(4-benzylpiperazin-1-yl)-5-nitropyrimidin-4-yl]amino]-N,N-dimethylacetamide Traditional Name: 2-[[6-(4-benzylpiperazino)-5-nitro-pyrimidin-4-yl]amino]-N,N-dimethyl-acetamide Formula: C19H25N7O3 MolecularWeight: 399.4469

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CNC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CN(C)C(=O)CNC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C19H25N7O3/c1-23(2)16(27)12-20-18-17(26(28)29)19(22-14-21-18)25-10-8-24(9-11-25)13-15-6-4-3-5-7-15/h3-7,14H,8-13H2,1-2H3,(H,20,21,22)