4-[5-nitro-4-(4-oxidanidylthiomorpholin-4-ium-4-yl)-6-(pyridin-2-ylamino)pyrimidin-2-yl]piperazine-1-carbaldehyde

Systemtic Name: 4-[5-nitro-4-(4-oxidanidylthiomorpholin-4-ium-4-yl)-6-(pyridin-2-ylamino)pyrimidin-2-yl]piperazine-1-carbaldehyde Openeye Name: 4-[5-nitro-4-(4-oxidothiomorpholin-4-ium-4-yl)-6-(2-pyridylamino)pyrimidin-2-yl]piperazine-1-carbaldehyde CAS Name: 4-[5-nitro-4-(4-oxido-4-thiomorpholin-4-iumyl)-6-(2-pyridinylamino)-2-pyrimidinyl]-1-piperazinecarboxaldehyde IUPAC Name: 4-[5-nitro-4-(4-oxidothiomorpholin-4-ium-4-yl)-6-(pyridin-2-ylamino)pyrimidin-2-yl]piperazine-1-carbaldehyde Traditional Name: 4-[5-nitro-4-(4-oxidothiomorpholin-4-ium-4-yl)-6-(2-pyridylamino)pyrimidin-2-yl]piperazine-1-carbaldehyde Formula: C18H22N8O4S MolecularWeight: 446.48348

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C=O)C2=NC(=C(C(=N2)[N+]3(CCSCC3)[O-])[N+](=O)[O-])NC4=CC=CC=N4

Isomeric SMILES

C1CN(CCN1C=O)C2=NC(=C(C(=N2)[N+]3(CCSCC3)[O-])[N+](=O)[O-])NC4=CC=CC=N4

InChI

InChI=1S/C18H22N8O4S/c27-13-23-5-7-24(8-6-23)18-21-16(20-14-3-1-2-4-19-14)15(25(28)29)17(22-18)26(30)9-11-31-12-10-26/h1-4,13H,5-12H2,(H,19,20,21,22)