5-nitro-N-(2-phenoxyethyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine

Systemtic Name: 5-nitro-N-(2-phenoxyethyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine Openeye Name: 5-nitro-N-(2-phenoxyethyl)-6-[4-(2-pyridyl)piperazin-1-yl]pyrimidin-4-amine CAS Name: 5-nitro-N-(2-phenoxyethyl)-6-[4-(2-pyridinyl)-1-piperazinyl]-4-pyrimidinamine IUPAC Name: 5-nitro-N-(2-phenoxyethyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine Traditional Name: [5-nitro-6-[4-(2-pyridyl)piperazino]pyrimidin-4-yl]-(2-phenoxyethyl)amine Formula: C21H23N7O3 MolecularWeight: 421.45242

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C3=C(C(=NC=N3)NCCOC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C3=C(C(=NC=N3)NCCOC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H23N7O3/c29-28(30)19-20(23-10-15-31-17-6-2-1-3-7-17)24-16-25-21(19)27-13-11-26(12-14-27)18-8-4-5-9-22-18/h1-9,16H,10-15H2,(H,23,24,25)