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

Systemtic Name: 4-(6-ethylsulfanyl-5-nitro-2-piperazin-1-yl-pyrimidin-4-yl)-1,4-thiazinane 1-oxide Openeye Name: 4-(6-ethylsulfanyl-5-nitro-2-piperazin-1-yl-pyrimidin-4-yl)-1,4-thiazinane 1-oxide CAS Name: 4-[6-(ethylthio)-5-nitro-2-(1-piperazinyl)-4-pyrimidinyl]-1,4-thiazinane 1-oxide IUPAC Name: 4-(6-ethylsulfanyl-5-nitro-2-piperazin-1-ylpyrimidin-4-yl)-1,4-thiazinane 1-oxide Traditional Name: 4-[6-(ethylthio)-5-nitro-2-piperazino-pyrimidin-4-yl]-1,4-thiazinane 1-oxide Formula: C14H22N6O3S2 MolecularWeight: 386.49288

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC(=NC(=C1[N+](=O)[O-])N2CCS(=O)CC2)N3CCNCC3

Isomeric SMILES

CCSC1=NC(=NC(=C1[N+](=O)[O-])N2CCS(=O)CC2)N3CCNCC3

InChI

InChI=1S/C14H22N6O3S2/c1-2-24-13-11(20(21)22)12(18-7-9-25(23)10-8-18)16-14(17-13)19-5-3-15-4-6-19/h15H,2-10H2,1H3