4-[[6-[(4-methylpiperazin-1-yl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoic acid

Systemtic Name: 4-[[6-[(4-methylpiperazin-1-yl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoic acid Openeye Name: 4-[[6-[(4-methylpiperazin-1-yl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoic acid CAS Name: 4-[[6-[(4-methyl-1-piperazinyl)amino]-5-nitro-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 4-[[6-[(4-methylpiperazin-1-yl)amino]-5-nitropyrimidin-4-yl]amino]benzoic acid Traditional Name: 4-[[6-[(4-methylpiperazino)amino]-5-nitro-pyrimidin-4-yl]amino]benzoic acid Formula: C16H19N7O4 MolecularWeight: 373.36656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N7O4/c1-21-6-8-22(9-7-21)20-15-13(23(26)27)14(17-10-18-15)19-12-4-2-11(3-5-12)16(24)25/h2-5,10H,6-9H2,1H3,(H,24,25)(H2,17,18,19,20)