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

Systemtic Name: methyl 2-[[6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]-methyl-amino]benzoate Openeye Name: methyl 2-[[6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]-methyl-amino]benzoate CAS Name: 2-[[6-[4-(4-methoxyphenyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]-methylamino]benzoic acid methyl ester IUPAC Name: methyl 2-[[6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]-methylamino]benzoate Traditional Name: 2-[[6-[4-(4-methoxyphenyl)piperazino]-5-nitro-pyrimidin-4-yl]-methyl-amino]benzoic acid methyl ester Formula: C24H26N6O5 MolecularWeight: 478.50044

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1C(=O)OC)C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=C(C=C4)OC

Isomeric SMILES

CN(C1=CC=CC=C1C(=O)OC)C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C24H26N6O5/c1-27(20-7-5-4-6-19(20)24(31)35-3)22-21(30(32)33)23(26-16-25-22)29-14-12-28(13-15-29)17-8-10-18(34-2)11-9-17/h4-11,16H,12-15H2,1-3H3