3-[2-[2-(diphenylmethyl)oxyethylsulfanyl]-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]propanoic acid

Systemtic Name: 3-[2-[2-(diphenylmethyl)oxyethylsulfanyl]-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]propanoic acid Openeye Name: 3-[2-(2-benzhydryloxyethylsulfanyl)-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid CAS Name: 3-[2-[2-(diphenylmethyl)oxyethylthio]-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid IUPAC Name: 3-[2-(2-benzhydryloxyethylsulfanyl)-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid Traditional Name: 3-[2-(2-benzhydryloxyethylthio)-4-keto-6-methyl-1H-pyrimidin-5-yl]propionic acid Formula: C23H24N2O4S MolecularWeight: 424.51266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCCOC(C2=CC=CC=C2)C3=CC=CC=C3)CCC(=O)O

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCCOC(C2=CC=CC=C2)C3=CC=CC=C3)CCC(=O)O

InChI

InChI=1S/C23H24N2O4S/c1-16-19(12-13-20(26)27)22(28)25-23(24-16)30-15-14-29-21(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,21H,12-15H2,1H3,(H,26,27)(H,24,25,28)