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

Systemtic Name: 4-[5-nitro-4-(4-oxidanidylthiomorpholin-4-ium-4-yl)-6-phenylazanyl-pyrimidin-2-yl]piperazine-1-carbaldehyde Openeye Name: 4-[4-anilino-5-nitro-6-(4-oxidothiomorpholin-4-ium-4-yl)pyrimidin-2-yl]piperazine-1-carbaldehyde CAS Name: 4-[4-anilino-5-nitro-6-(4-oxido-4-thiomorpholin-4-iumyl)-2-pyrimidinyl]-1-piperazinecarboxaldehyde IUPAC Name: 4-[4-anilino-5-nitro-6-(4-oxidothiomorpholin-4-ium-4-yl)pyrimidin-2-yl]piperazine-1-carbaldehyde Traditional Name: 4-[4-anilino-5-nitro-6-(4-oxidothiomorpholin-4-ium-4-yl)pyrimidin-2-yl]piperazine-1-carbaldehyde Formula: C19H23N7O4S MolecularWeight: 445.49542

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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=C4

Isomeric SMILES

C1CN(CCN1C=O)C2=NC(=C(C(=N2)[N+]3(CCSCC3)[O-])[N+](=O)[O-])NC4=CC=CC=C4

InChI

InChI=1S/C19H23N7O4S/c27-14-23-6-8-24(9-7-23)19-21-17(20-15-4-2-1-3-5-15)16(25(28)29)18(22-19)26(30)10-12-31-13-11-26/h1-5,14H,6-13H2,(H,20,21,22)