3-[2-[[4-[(4-methoxyphenyl)carbamoyl]phenyl]methylsulfanyl]-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]propanoic acid

Systemtic Name: 3-[2-[[4-[(4-methoxyphenyl)carbamoyl]phenyl]methylsulfanyl]-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]propanoic acid Openeye Name: 3-[2-[[4-[(4-methoxyphenyl)carbamoyl]phenyl]methylsulfanyl]-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid CAS Name: 3-[2-[[4-[(4-methoxyanilino)-oxomethyl]phenyl]methylthio]-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid IUPAC Name: 3-[2-[[4-[(4-methoxyphenyl)carbamoyl]phenyl]methylsulfanyl]-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid Traditional Name: 3-[4-keto-2-[[4-[(4-methoxyphenyl)carbamoyl]benzyl]thio]-6-methyl-1H-pyrimidin-5-yl]propionic acid Formula: C23H23N3O5S MolecularWeight: 453.51082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)OC)CCC(=O)O

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)OC)CCC(=O)O

InChI

InChI=1S/C23H23N3O5S/c1-14-19(11-12-20(27)28)22(30)26-23(24-14)32-13-15-3-5-16(6-4-15)21(29)25-17-7-9-18(31-2)10-8-17/h3-10H,11-13H2,1-2H3,(H,25,29)(H,27,28)(H,24,26,30)