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

Systemtic Name: 2-[(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)methyl-(4-methylphenyl)sulfonyl-amino]ethoxymethylphosphonic acid Openeye Name: 2-[(4-amino-2-oxo-pyrimidin-1-yl)methyl-(p-tolylsulfonyl)amino]ethoxymethylphosphonic acid CAS Name: 2-[(4-amino-2-oxo-1-pyrimidinyl)methyl-(4-methylphenyl)sulfonylamino]ethoxymethylphosphonic acid IUPAC Name: 2-[(4-amino-2-oxopyrimidin-1-yl)methyl-(4-methylphenyl)sulfonylamino]ethoxymethylphosphonic acid Traditional Name: 2-[(4-amino-2-keto-pyrimidin-1-yl)methyl-tosyl-amino]ethoxymethylphosphonic acid Formula: C15H21N4O7PS MolecularWeight: 432.388601

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N4O7PS/c1-12-2-4-13(5-3-12)28(24,25)19(8-9-26-11-27(21,22)23)10-18-7-6-14(16)17-15(18)20/h2-7H,8-11H2,1H3,(H2,16,17,20)(H2,21,22,23)