[4-[4-methyl-5-nitro-6-(4-oxidanidylthiomorpholin-4-ium-4-yl)pyrimidin-2-yl]piperazin-1-yl]-pyridin-3-yl-methanone

Systemtic Name: [4-[4-methyl-5-nitro-6-(4-oxidanidylthiomorpholin-4-ium-4-yl)pyrimidin-2-yl]piperazin-1-yl]-pyridin-3-yl-methanone Openeye Name: [4-[4-methyl-5-nitro-6-(4-oxidothiomorpholin-4-ium-4-yl)pyrimidin-2-yl]piperazin-1-yl]-(3-pyridyl)methanone CAS Name: [4-[4-methyl-5-nitro-6-(4-oxido-4-thiomorpholin-4-iumyl)-2-pyrimidinyl]-1-piperazinyl]-(3-pyridinyl)methanone IUPAC Name: [4-[4-methyl-5-nitro-6-(4-oxidothiomorpholin-4-ium-4-yl)pyrimidin-2-yl]piperazin-1-yl]-pyridin-3-ylmethanone Traditional Name: [4-[4-methyl-5-nitro-6-(4-oxidothiomorpholin-4-ium-4-yl)pyrimidin-2-yl]piperazino]-(3-pyridyl)methanone Formula: C19H23N7O4S MolecularWeight: 445.49542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)N2CCN(CC2)C(=O)C3=CN=CC=C3)[N+]4(CCSCC4)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NC(=N1)N2CCN(CC2)C(=O)C3=CN=CC=C3)[N+]4(CCSCC4)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H23N7O4S/c1-14-16(25(28)29)17(26(30)9-11-31-12-10-26)22-19(21-14)24-7-5-23(6-8-24)18(27)15-3-2-4-20-13-15/h2-4,13H,5-12H2,1H3