Compound Summary
Ro 04-6790 dihydrochloride
Compound Information
Ro 04-6790 dihydrochloride
Compound Name: | Ro 04-6790 dihydrochloride |
Compound CID: | 11957681 |
Synonyms: | Ro 04-6790 dihydrochloride |
Iupac Name: | 4-amino-N-[2,6-bis(methylamino)pyrimidin-4-yl]benzenesulfonamide;dihydrochloride |
InChI: | InChI=1S/C12H16N6O2S.2ClH/c1-14-10-7-11(17-12(15-2)16-10)18-21(19,20)9-5-3-8(13)4-6-9;;/h3-7H,13H2,1-2H3,(H3,14,15,16,17,18);2*1H |
InChIKey: | QOAXXMSJHQHSFV-UHFFFAOYSA-N |
Canonical Smiles: | CNC1=CC(=NC(=N1)NC)NS(=O)(=O)C2=CC=C(C=C2)N.Cl.Cl |
Isomeric Smiles: | CNC1=CC(=NC(=N1)NC)NS(=O)(=O)C2=CC=C(C=C2)N.Cl.Cl |
Molecular Weight: | 381.3 |
Molecular Formula: | C12H18Cl2N6O2S |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
Ro 04-6790 dihydrochloride
Molecular Weight: | 381.3 |
Molecular Formula: | C12H18Cl2N6O2S |
Hydrogen Bond Donor Count: | 6 |
Hydrogen Bond Acceptor Count: | 8 |
Rotatable Bond Count: | 5 |
Heavy Atom Count: | 23 |
Complexity: | 418 |
Synonyms
Ro 04-6790 dihydrochloride
Experimental Data
Ro 04-6790 dihydrochloride
Experimental Data Visualization
Ro 04-6790 dihydrochloride
Statistics Data
Ro 04-6790 dihydrochloride
Statistics Data Visualization
Ro 04-6790 dihydrochloride
