2-[4-[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]oxyphenyl]ethanamide

Systemtic Name: 2-[4-[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]oxyphenyl]ethanamide Openeye Name: 2-[4-[5-nitro-6-[4-(2-pyridyl)piperazin-1-yl]pyrimidin-4-yl]oxyphenyl]acetamide CAS Name: 2-[4-[[5-nitro-6-[4-(2-pyridinyl)-1-piperazinyl]-4-pyrimidinyl]oxy]phenyl]acetamide IUPAC Name: 2-[4-[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]oxyphenyl]acetamide Traditional Name: 2-[4-[5-nitro-6-[4-(2-pyridyl)piperazino]pyrimidin-4-yl]oxyphenyl]acetamide Formula: C21H21N7O4 MolecularWeight: 435.43594

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C3=C(C(=NC=N3)OC4=CC=C(C=C4)CC(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C3=C(C(=NC=N3)OC4=CC=C(C=C4)CC(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C21H21N7O4/c22-17(29)13-15-4-6-16(7-5-15)32-21-19(28(30)31)20(24-14-25-21)27-11-9-26(10-12-27)18-3-1-2-8-23-18/h1-8,14H,9-13H2,(H2,22,29)