dimethyl 5-[[6-[(4-methylpiperazin-1-yl)amino]-5-nitro-pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[6-[(4-methylpiperazin-1-yl)amino]-5-nitro-pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[6-[(4-methylpiperazin-1-yl)amino]-5-nitro-pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[6-[(4-methyl-1-piperazinyl)amino]-5-nitro-4-pyrimidinyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[6-[(4-methylpiperazin-1-yl)amino]-5-nitropyrimidin-4-yl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[6-[(4-methylpiperazino)amino]-5-nitro-pyrimidin-4-yl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C19H23N7O6 MolecularWeight: 445.42922

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=CC(=C3)C(=O)OC)C(=O)OC

Isomeric SMILES

CN1CCN(CC1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=CC(=C3)C(=O)OC)C(=O)OC

InChI

InChI=1S/C19H23N7O6/c1-24-4-6-25(7-5-24)23-17-15(26(29)30)16(20-11-21-17)22-14-9-12(18(27)31-2)8-13(10-14)19(28)32-3/h8-11H,4-7H2,1-3H3,(H2,20,21,22,23)