8-[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane

Systemtic Name: 8-[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane Openeye Name: 8-[5-nitro-6-[4-(2-pyridyl)piperazin-1-yl]pyrimidin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane CAS Name: 8-[5-nitro-6-[4-(2-pyridinyl)-1-piperazinyl]-4-pyrimidinyl]-1,4-dioxa-8-azaspiro[4.5]decane IUPAC Name: 8-[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane Traditional Name: 8-[5-nitro-6-[4-(2-pyridyl)piperazino]pyrimidin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane Formula: C20H25N7O4 MolecularWeight: 427.457

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC12OCCO2)C3=C(C(=NC=N3)N4CCN(CC4)C5=CC=CC=N5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC12OCCO2)C3=C(C(=NC=N3)N4CCN(CC4)C5=CC=CC=N5)[N+](=O)[O-]

InChI

InChI=1S/C20H25N7O4/c28-27(29)17-18(25-7-4-20(5-8-25)30-13-14-31-20)22-15-23-19(17)26-11-9-24(10-12-26)16-3-1-2-6-21-16/h1-3,6,15H,4-5,7-14H2