[6-methoxy-2-(sulfonylcarbamoylamino)pyrimidin-4-yl]methyl N,N-dimethylcarbamodithioate; nitrobenzene

Systemtic Name: [6-methoxy-2-(sulfonylcarbamoylamino)pyrimidin-4-yl]methyl N,N-dimethylcarbamodithioate; nitrobenzene Openeye Name: [6-methoxy-2-(sulfonylcarbamoylamino)pyrimidin-4-yl]methyl N,N-dimethylcarbamodithioate; nitrobenzene CAS Name: N,N-dimethylcarbamodithioic acid [6-methoxy-2-[[oxo-(sulfonylamino)methyl]amino]-4-pyrimidinyl]methyl ester; nitrobenzene IUPAC Name: [6-methoxy-2-(sulfonylcarbamoylamino)pyrimidin-4-yl]methyl N,N-dimethylcarbamodithioate; nitrobenzene Traditional Name: N,N-dimethylcarbamodithioic acid [6-methoxy-2-(sulfonylcarbamoylamino)pyrimidin-4-yl]methyl ester; nitrobenzene Formula: C16H18N6O6S3 MolecularWeight: 486.54572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=S)SCC1=CC(=NC(=N1)NC(=O)N=S(=O)=O)OC.C1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CN(C)C(=S)SCC1=CC(=NC(=N1)NC(=O)N=S(=O)=O)OC.C1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C10H13N5O4S3.C6H5NO2/c1-15(2)10(20)21-5-6-4-7(19-3)12-8(11-6)13-9(16)14-22(17)18;8-7(9)6-4-2-1-3-5-6/h4H,5H2,1-3H3,(H,11,12,13,16);1-5H