methyl 2-[[6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]amino]benzoate

Systemtic Name: methyl 2-[[6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 2-[[6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 2-[[6-[4-(4-methoxyphenyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 2-[[6-[4-(4-methoxyphenyl)piperazino]-5-nitro-pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C23H24N6O5 MolecularWeight: 464.47386

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C3=C(C(=NC=N3)NC4=CC=CC=C4C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C3=C(C(=NC=N3)NC4=CC=CC=C4C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C23H24N6O5/c1-33-17-9-7-16(8-10-17)27-11-13-28(14-12-27)22-20(29(31)32)21(24-15-25-22)26-19-6-4-3-5-18(19)23(30)34-2/h3-10,15H,11-14H2,1-2H3,(H,24,25,26)