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

Systemtic Name: 4-[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]thiomorpholine Openeye Name: 4-[5-nitro-6-[4-(2-pyridyl)piperazin-1-yl]pyrimidin-4-yl]thiomorpholine CAS Name: 4-[5-nitro-6-[4-(2-pyridinyl)-1-piperazinyl]-4-pyrimidinyl]thiomorpholine IUPAC Name: 4-[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]thiomorpholine Traditional Name: 4-[5-nitro-6-[4-(2-pyridyl)piperazino]pyrimidin-4-yl]thiomorpholine Formula: C17H21N7O2S MolecularWeight: 387.45934

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C3=C(C(=NC=N3)N4CCSCC4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C3=C(C(=NC=N3)N4CCSCC4)[N+](=O)[O-]

InChI

InChI=1S/C17H21N7O2S/c25-24(26)15-16(19-13-20-17(15)23-9-11-27-12-10-23)22-7-5-21(6-8-22)14-3-1-2-4-18-14/h1-4,13H,5-12H2