4-(6-methylsulfanyl-5-nitro-2-piperazin-1-yl-pyrimidin-4-yl)-1,4-thiazinane 1-oxide

Systemtic Name: 4-(6-methylsulfanyl-5-nitro-2-piperazin-1-yl-pyrimidin-4-yl)-1,4-thiazinane 1-oxide Openeye Name: 4-(6-methylsulfanyl-5-nitro-2-piperazin-1-yl-pyrimidin-4-yl)-1,4-thiazinane 1-oxide CAS Name: 4-[6-(methylthio)-5-nitro-2-(1-piperazinyl)-4-pyrimidinyl]-1,4-thiazinane 1-oxide IUPAC Name: 4-(6-methylsulfanyl-5-nitro-2-piperazin-1-ylpyrimidin-4-yl)-1,4-thiazinane 1-oxide Traditional Name: 4-[6-(methylthio)-5-nitro-2-piperazino-pyrimidin-4-yl]-1,4-thiazinane 1-oxide Formula: C13H20N6O3S2 MolecularWeight: 372.4663

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=NC(=C1[N+](=O)[O-])N2CCS(=O)CC2)N3CCNCC3

Isomeric SMILES

CSC1=NC(=NC(=C1[N+](=O)[O-])N2CCS(=O)CC2)N3CCNCC3

InChI

InChI=1S/C13H20N6O3S2/c1-23-12-10(19(20)21)11(17-6-8-24(22)9-7-17)15-13(16-12)18-4-2-14-3-5-18/h14H,2-9H2,1H3