1-[4-methylsulfanyl-5-nitro-6-(1-oxidanylidene-1,4-thiazinan-4-yl)pyrimidin-2-yl]piperazine-2-carbaldehyde

Systemtic Name: 1-[4-methylsulfanyl-5-nitro-6-(1-oxidanylidene-1,4-thiazinan-4-yl)pyrimidin-2-yl]piperazine-2-carbaldehyde Openeye Name: 1-[4-methylsulfanyl-5-nitro-6-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-2-yl]piperazine-2-carbaldehyde CAS Name: 1-[4-(methylthio)-5-nitro-6-(1-oxo-1,4-thiazinan-4-yl)-2-pyrimidinyl]-2-piperazinecarboxaldehyde IUPAC Name: 1-[4-methylsulfanyl-5-nitro-6-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-2-yl]piperazine-2-carbaldehyde Traditional Name: 1-[4-(1-keto-1,4-thiazinan-4-yl)-6-(methylthio)-5-nitro-pyrimidin-2-yl]piperazine-2-carbaldehyde Formula: C14H20N6O4S2 MolecularWeight: 400.4764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=NC(=C1[N+](=O)[O-])N2CCS(=O)CC2)N3CCNCC3C=O

Isomeric SMILES

CSC1=NC(=NC(=C1[N+](=O)[O-])N2CCS(=O)CC2)N3CCNCC3C=O

InChI

InChI=1S/C14H20N6O4S2/c1-25-13-11(20(22)23)12(18-4-6-26(24)7-5-18)16-14(17-13)19-3-2-15-8-10(19)9-21/h9-10,15H,2-8H2,1H3