2-[[2,4-bis(oxidanylidene)pyrimidin-1-yl]methyl-(4-methylphenyl)sulfonyl-amino]ethoxymethylphosphonic acid

Systemtic Name: 2-[[2,4-bis(oxidanylidene)pyrimidin-1-yl]methyl-(4-methylphenyl)sulfonyl-amino]ethoxymethylphosphonic acid Openeye Name: 2-[(2,4-dioxopyrimidin-1-yl)methyl-(p-tolylsulfonyl)amino]ethoxymethylphosphonic acid CAS Name: 2-[(2,4-dioxo-1-pyrimidinyl)methyl-(4-methylphenyl)sulfonylamino]ethoxymethylphosphonic acid IUPAC Name: 2-[(2,4-dioxopyrimidin-1-yl)methyl-(4-methylphenyl)sulfonylamino]ethoxymethylphosphonic acid Traditional Name: 2-[(2,4-diketopyrimidin-1-yl)methyl-tosyl-amino]ethoxymethylphosphonic acid Formula: C15H20N3O8PS MolecularWeight: 433.373361

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CCOCP(=O)(O)O)CN2C=CC(=O)NC2=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CCOCP(=O)(O)O)CN2C=CC(=O)NC2=O

InChI

InChI=1S/C15H20N3O8PS/c1-12-2-4-13(5-3-12)28(24,25)18(8-9-26-11-27(21,22)23)10-17-7-6-14(19)16-15(17)20/h2-7H,8-11H2,1H3,(H,16,19,20)(H2,21,22,23)