2-methylpropyl 4-[[6-[(4-methylpiperazin-1-yl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate

Systemtic Name: 2-methylpropyl 4-[[6-[(4-methylpiperazin-1-yl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: isobutyl 4-[[6-[(4-methylpiperazin-1-yl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[6-[(4-methyl-1-piperazinyl)amino]-5-nitro-4-pyrimidinyl]amino]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[[6-[(4-methylpiperazin-1-yl)amino]-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[6-[(4-methylpiperazino)amino]-5-nitro-pyrimidin-4-yl]amino]benzoic acid isobutyl ester Formula: C20H27N7O4 MolecularWeight: 429.47288

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NN3CCN(CC3)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)COC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NN3CCN(CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C20H27N7O4/c1-14(2)12-31-20(28)15-4-6-16(7-5-15)23-18-17(27(29)30)19(22-13-21-18)24-26-10-8-25(3)9-11-26/h4-7,13-14H,8-12H2,1-3H3,(H2,21,22,23,24)