3-[6-methyl-4-oxidanylidene-2-[2-oxidanylidene-2-[phenyl-(phenylmethyl)amino]ethyl]sulfanyl-1H-pyrimidin-5-yl]propanoic acid

Systemtic Name: 3-[6-methyl-4-oxidanylidene-2-[2-oxidanylidene-2-[phenyl-(phenylmethyl)amino]ethyl]sulfanyl-1H-pyrimidin-5-yl]propanoic acid Openeye Name: 3-[2-[2-(N-benzylanilino)-2-oxo-ethyl]sulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid CAS Name: 3-[6-methyl-4-oxo-2-[[2-oxo-2-(N-(phenylmethyl)anilino)ethyl]thio]-1H-pyrimidin-5-yl]propanoic acid IUPAC Name: 3-[2-[2-(N-benzylanilino)-2-oxoethyl]sulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid Traditional Name: 3-[2-[[2-(N-benzylanilino)-2-keto-ethyl]thio]-4-keto-6-methyl-1H-pyrimidin-5-yl]propionic acid Formula: C23H23N3O4S MolecularWeight: 437.51142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC(=O)N(CC2=CC=CC=C2)C3=CC=CC=C3)CCC(=O)O

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC(=O)N(CC2=CC=CC=C2)C3=CC=CC=C3)CCC(=O)O

InChI

InChI=1S/C23H23N3O4S/c1-16-19(12-13-21(28)29)22(30)25-23(24-16)31-15-20(27)26(18-10-6-3-7-11-18)14-17-8-4-2-5-9-17/h2-11H,12-15H2,1H3,(H,28,29)(H,24,25,30)