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

Systemtic Name: methyl 3-[[6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]-(phenylmethyl)amino]propanoate Openeye Name: methyl 3-[benzyl-[6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]amino]propanoate CAS Name: 3-[[6-(4-methyl-1-piperazinyl)-5-nitro-4-pyrimidinyl]-(phenylmethyl)amino]propanoic acid methyl ester IUPAC Name: methyl 3-[benzyl-[6-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-yl]amino]propanoate Traditional Name: 3-[benzyl-[6-(4-methylpiperazino)-5-nitro-pyrimidin-4-yl]amino]propionic acid methyl ester Formula: C20H26N6O4 MolecularWeight: 414.45824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C(=NC=N2)N(CCC(=O)OC)CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=C(C(=NC=N2)N(CCC(=O)OC)CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H26N6O4/c1-23-10-12-24(13-11-23)19-18(26(28)29)20(22-15-21-19)25(9-8-17(27)30-2)14-16-6-4-3-5-7-16/h3-7,15H,8-14H2,1-2H3