3-[6-methyl-2-[2-(4-morpholin-4-ylsulfonylphenoxy)ethylsulfanyl]-4-oxidanylidene-1H-pyrimidin-5-yl]propanoic acid

Systemtic Name: 3-[6-methyl-2-[2-(4-morpholin-4-ylsulfonylphenoxy)ethylsulfanyl]-4-oxidanylidene-1H-pyrimidin-5-yl]propanoic acid Openeye Name: 3-[6-methyl-2-[2-(4-morpholinosulfonylphenoxy)ethylsulfanyl]-4-oxo-1H-pyrimidin-5-yl]propanoic acid CAS Name: 3-[6-methyl-2-[2-[4-(4-morpholinylsulfonyl)phenoxy]ethylthio]-4-oxo-1H-pyrimidin-5-yl]propanoic acid IUPAC Name: 3-[6-methyl-2-[2-(4-morpholin-4-ylsulfonylphenoxy)ethylsulfanyl]-4-oxo-1H-pyrimidin-5-yl]propanoic acid Traditional Name: 3-[4-keto-6-methyl-2-[2-(4-morpholinosulfonylphenoxy)ethylthio]-1H-pyrimidin-5-yl]propionic acid Formula: C20H25N3O7S2 MolecularWeight: 483.5584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCCOC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)CCC(=O)O

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCCOC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)CCC(=O)O

InChI

InChI=1S/C20H25N3O7S2/c1-14-17(6-7-18(24)25)19(26)22-20(21-14)31-13-12-30-15-2-4-16(5-3-15)32(27,28)23-8-10-29-11-9-23/h2-5H,6-13H2,1H3,(H,24,25)(H,21,22,26)