1-cyano-N-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-ethanesulfonamide; 2-methyl-3,5-diazabicyclo[2.1.0]penta-1,4-diene

Systemtic Name: 1-cyano-N-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-ethanesulfonamide; 2-methyl-3,5-diazabicyclo[2.1.0]penta-1,4-diene Openeye Name: 1-cyano-N-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-ethanesulfonamide; 2-methyl-3,5-diazabicyclo[2.1.0]penta-1,4-diene CAS Name: 1-cyano-N-[(4,6-dimethoxy-2-pyrimidinyl)thio]ethanesulfonamide; 2-methyl-3,5-diazabicyclo[2.1.0]penta-1,4-diene IUPAC Name: 1-cyano-N-(4,6-dimethoxypyrimidin-2-yl)sulfanylethanesulfonamide; 2-methyl-3,5-diazabicyclo[2.1.0]penta-1,4-diene Traditional Name: 1-cyano-N-[(4,6-dimethoxypyrimidin-2-yl)thio]ethanesulfonamide; 2-methyl-3,5-diazabicyclo[2.1.0]penta-1,4-diene Formula: C13H16N6O4S2 MolecularWeight: 384.43394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=N2)N1.CC(C#N)S(=O)(=O)NSC1=NC(=CC(=N1)OC)OC

Isomeric SMILES

CC1=C2C(=N2)N1.CC(C#N)S(=O)(=O)NSC1=NC(=CC(=N1)OC)OC

InChI

InChI=1S/C9H12N4O4S2.C4H4N2/c1-6(5-10)19(14,15)13-18-9-11-7(16-2)4-8(12-9)17-3;1-2-3-4(5-2)6-3/h4,6,13H,1-3H3;1H3,(H,5,6)