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

Systemtic Name: 4-[4-(cyclohexylamino)-5-nitro-6-(4-oxidanidylthiomorpholin-4-ium-4-yl)pyrimidin-2-yl]piperazine-1-carbaldehyde Openeye Name: 4-[4-(cyclohexylamino)-5-nitro-6-(4-oxidothiomorpholin-4-ium-4-yl)pyrimidin-2-yl]piperazine-1-carbaldehyde CAS Name: 4-[4-(cyclohexylamino)-5-nitro-6-(4-oxido-4-thiomorpholin-4-iumyl)-2-pyrimidinyl]-1-piperazinecarboxaldehyde IUPAC Name: 4-[4-(cyclohexylamino)-5-nitro-6-(4-oxidothiomorpholin-4-ium-4-yl)pyrimidin-2-yl]piperazine-1-carbaldehyde Traditional Name: 4-[4-(cyclohexylamino)-5-nitro-6-(4-oxidothiomorpholin-4-ium-4-yl)pyrimidin-2-yl]piperazine-1-carbaldehyde Formula: C19H29N7O4S MolecularWeight: 451.54306

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=C(C(=NC(=N2)N3CCN(CC3)C=O)[N+]4(CCSCC4)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)NC2=C(C(=NC(=N2)N3CCN(CC3)C=O)[N+]4(CCSCC4)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H29N7O4S/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/h14-15H,1-13H2,(H,20,21,22)