methyl 3-[[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-(phenylmethyl)amino]propanoate

Systemtic Name: methyl 3-[[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-(phenylmethyl)amino]propanoate Openeye Name: methyl 3-[benzyl-[5-nitro-6-[4-(2-pyridyl)piperazin-1-yl]pyrimidin-4-yl]amino]propanoate CAS Name: 3-[[5-nitro-6-[4-(2-pyridinyl)-1-piperazinyl]-4-pyrimidinyl]-(phenylmethyl)amino]propanoic acid methyl ester IUPAC Name: methyl 3-[benzyl-[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]amino]propanoate Traditional Name: 3-[benzyl-[5-nitro-6-[4-(2-pyridyl)piperazino]pyrimidin-4-yl]amino]propionic acid methyl ester Formula: C24H27N7O4 MolecularWeight: 477.51568

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN(CC1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

COC(=O)CCN(CC1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C24H27N7O4/c1-35-21(32)10-12-30(17-19-7-3-2-4-8-19)24-22(31(33)34)23(26-18-27-24)29-15-13-28(14-16-29)20-9-5-6-11-25-20/h2-9,11,18H,10,12-17H2,1H3