1-[4-[5-nitro-6-[(3,4,5-trimethoxyphenyl)methylamino]pyrimidin-4-yl]piperazin-1-yl]ethanone

Systemtic Name: 1-[4-[5-nitro-6-[(3,4,5-trimethoxyphenyl)methylamino]pyrimidin-4-yl]piperazin-1-yl]ethanone Openeye Name: 1-[4-[5-nitro-6-[(3,4,5-trimethoxyphenyl)methylamino]pyrimidin-4-yl]piperazin-1-yl]ethanone CAS Name: 1-[4-[5-nitro-6-[(3,4,5-trimethoxyphenyl)methylamino]-4-pyrimidinyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[5-nitro-6-[(3,4,5-trimethoxyphenyl)methylamino]pyrimidin-4-yl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[5-nitro-6-[(3,4,5-trimethoxybenzyl)amino]pyrimidin-4-yl]piperazino]ethanone Formula: C20H26N6O6 MolecularWeight: 446.45704

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=C(C(=NC=N2)NCC3=CC(=C(C(=C3)OC)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=C(C(=NC=N2)NCC3=CC(=C(C(=C3)OC)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H26N6O6/c1-13(27)24-5-7-25(8-6-24)20-17(26(28)29)19(22-12-23-20)21-11-14-9-15(30-2)18(32-4)16(10-14)31-3/h9-10,12H,5-8,11H2,1-4H3,(H,21,22,23)