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

Systemtic Name: 4-[4-(methylamino)-5-nitro-6-(4-oxidanidylthiomorpholin-4-ium-4-yl)pyrimidin-2-yl]piperazine-1-carbaldehyde Openeye Name: 4-[4-(methylamino)-5-nitro-6-(4-oxidothiomorpholin-4-ium-4-yl)pyrimidin-2-yl]piperazine-1-carbaldehyde CAS Name: 4-[4-(methylamino)-5-nitro-6-(4-oxido-4-thiomorpholin-4-iumyl)-2-pyrimidinyl]-1-piperazinecarboxaldehyde IUPAC Name: 4-[4-(methylamino)-5-nitro-6-(4-oxidothiomorpholin-4-ium-4-yl)pyrimidin-2-yl]piperazine-1-carbaldehyde Traditional Name: 4-[4-(methylamino)-5-nitro-6-(4-oxidothiomorpholin-4-ium-4-yl)pyrimidin-2-yl]piperazine-1-carbaldehyde Formula: C14H21N7O4S MolecularWeight: 383.42604

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C(=NC(=N1)N2CCN(CC2)C=O)[N+]3(CCSCC3)[O-])[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C(=NC(=N1)N2CCN(CC2)C=O)[N+]3(CCSCC3)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H21N7O4S/c1-15-12-11(20(23)24)13(21(25)6-8-26-9-7-21)17-14(16-12)19-4-2-18(10-22)3-5-19/h10H,2-9H2,1H3,(H,15,16,17)