4-(6-butan-2-yloxy-5-nitro-2-piperazin-1-yl-pyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide

Systemtic Name: 4-(6-butan-2-yloxy-5-nitro-2-piperazin-1-yl-pyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide Openeye Name: 4-(5-nitro-2-piperazin-1-yl-6-sec-butoxy-pyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide CAS Name: 4-[6-butan-2-yloxy-5-nitro-2-(1-piperazinyl)-4-pyrimidinyl]-1,4-thiazinane 1,1-dioxide IUPAC Name: 4-(6-butan-2-yloxy-5-nitro-2-piperazin-1-ylpyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide Traditional Name: 4-(5-nitro-2-piperazino-6-sec-butoxy-pyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide Formula: C16H26N6O5S MolecularWeight: 414.47984

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC1=NC(=NC(=C1[N+](=O)[O-])N2CCS(=O)(=O)CC2)N3CCNCC3

Isomeric SMILES

CCC(C)OC1=NC(=NC(=C1[N+](=O)[O-])N2CCS(=O)(=O)CC2)N3CCNCC3

InChI

InChI=1S/C16H26N6O5S/c1-3-12(2)27-15-13(22(23)24)14(20-8-10-28(25,26)11-9-20)18-16(19-15)21-6-4-17-5-7-21/h12,17H,3-11H2,1-2H3