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

Systemtic Name: 4-[4-[(4-chlorophenyl)amino]-5-nitro-6-(4-oxidanidylthiomorpholin-4-ium-4-yl)pyrimidin-2-yl]piperazine-1-carbaldehyde Openeye Name: 4-[4-(4-chloroanilino)-5-nitro-6-(4-oxidothiomorpholin-4-ium-4-yl)pyrimidin-2-yl]piperazine-1-carbaldehyde CAS Name: 4-[4-(4-chloroanilino)-5-nitro-6-(4-oxido-4-thiomorpholin-4-iumyl)-2-pyrimidinyl]-1-piperazinecarboxaldehyde IUPAC Name: 4-[4-(4-chloroanilino)-5-nitro-6-(4-oxidothiomorpholin-4-ium-4-yl)pyrimidin-2-yl]piperazine-1-carbaldehyde Traditional Name: 4-[4-(4-chloroanilino)-5-nitro-6-(4-oxidothiomorpholin-4-ium-4-yl)pyrimidin-2-yl]piperazine-1-carbaldehyde Formula: C19H22ClN7O4S MolecularWeight: 479.94048

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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=C(C=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H22ClN7O4S/c20-14-1-3-15(4-2-14)21-17-16(26(29)30)18(27(31)9-11-32-12-10-27)23-19(22-17)25-7-5-24(13-28)6-8-25/h1-4,13H,5-12H2,(H,21,22,23)