4-[2,4-bis(oxidanylidene)-1H-pyrimidin-3-yl]-2-[(4-methoxyphenyl)sulfonyl-methyl-amino]butanoic acid

Systemtic Name: 4-[2,4-bis(oxidanylidene)-1H-pyrimidin-3-yl]-2-[(4-methoxyphenyl)sulfonyl-methyl-amino]butanoic acid Openeye Name: 4-(2,4-dioxo-1H-pyrimidin-3-yl)-2-[(4-methoxyphenyl)sulfonyl-methyl-amino]butanoic acid CAS Name: 4-(2,4-dioxo-1H-pyrimidin-3-yl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]butanoic acid IUPAC Name: 4-(2,4-dioxo-1H-pyrimidin-3-yl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]butanoic acid Traditional Name: 4-(2,4-diketo-1H-pyrimidin-3-yl)-2-[(4-methoxyphenyl)sulfonyl-methyl-amino]butyric acid Formula: C16H19N3O7S MolecularWeight: 397.40296

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(CCN1C(=O)C=CNC1=O)C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CN(C(CCN1C(=O)C=CNC1=O)C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C16H19N3O7S/c1-18(27(24,25)12-5-3-11(26-2)4-6-12)13(15(21)22)8-10-19-14(20)7-9-17-16(19)23/h3-7,9,13H,8,10H2,1-2H3,(H,17,23)(H,21,22)