[2-[[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]methyl-methylsulfonyl-amino]-3-oxidanyl-propyl] benzoate

Systemtic Name: [2-[[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]methyl-methylsulfonyl-amino]-3-oxidanyl-propyl] benzoate Openeye Name: [3-hydroxy-2-[(5-methyl-2,4-dioxo-pyrimidin-1-yl)methyl-methylsulfonyl-amino]propyl] benzoate CAS Name: benzoic acid [3-hydroxy-2-[(5-methyl-2,4-dioxo-1-pyrimidinyl)methyl-methylsulfonylamino]propyl] ester IUPAC Name: [3-hydroxy-2-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl-methylsulfonylamino]propyl] benzoate Traditional Name: benzoic acid [2-[(2,4-diketo-5-methyl-pyrimidin-1-yl)methyl-mesyl-amino]-3-hydroxy-propyl] ester Formula: C17H21N3O7S MolecularWeight: 411.42954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)NC1=O)CN(C(CO)COC(=O)C2=CC=CC=C2)S(=O)(=O)C

Isomeric SMILES

CC1=CN(C(=O)NC1=O)CN(C(CO)COC(=O)C2=CC=CC=C2)S(=O)(=O)C

InChI

InChI=1S/C17H21N3O7S/c1-12-8-19(17(24)18-15(12)22)11-20(28(2,25)26)14(9-21)10-27-16(23)13-6-4-3-5-7-13/h3-8,14,21H,9-11H2,1-2H3,(H,18,22,24)