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

Systemtic Name: 5-nitro-N-(4-phenoxyphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine Openeye Name: 5-nitro-N-(4-phenoxyphenyl)-6-[4-(2-pyridyl)piperazin-1-yl]pyrimidin-4-amine CAS Name: 5-nitro-N-(4-phenoxyphenyl)-6-[4-(2-pyridinyl)-1-piperazinyl]-4-pyrimidinamine IUPAC Name: 5-nitro-N-(4-phenoxyphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine Traditional Name: [5-nitro-6-[4-(2-pyridyl)piperazino]pyrimidin-4-yl]-(4-phenoxyphenyl)amine Formula: C25H23N7O3 MolecularWeight: 469.49522

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C3=C(C(=NC=N3)NC4=CC=C(C=C4)OC5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C3=C(C(=NC=N3)NC4=CC=C(C=C4)OC5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C25H23N7O3/c33-32(34)23-24(29-19-9-11-21(12-10-19)35-20-6-2-1-3-7-20)27-18-28-25(23)31-16-14-30(15-17-31)22-8-4-5-13-26-22/h1-13,18H,14-17H2,(H,27,28,29)