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

Systemtic Name: 3-[6-methyl-4-oxidanylidene-2-(2-oxidanylidene-1-phenyl-2-phenylazanyl-ethyl)sulfanyl-1H-pyrimidin-5-yl]propanoic acid Openeye Name: 3-[2-(2-anilino-2-oxo-1-phenyl-ethyl)sulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid CAS Name: 3-[2-[(2-anilino-2-oxo-1-phenylethyl)thio]-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid IUPAC Name: 3-[2-(2-anilino-2-oxo-1-phenylethyl)sulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid Traditional Name: 3-[2-[(2-anilino-2-keto-1-phenyl-ethyl)thio]-4-keto-6-methyl-1H-pyrimidin-5-yl]propionic acid Formula: C22H21N3O4S MolecularWeight: 423.48484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O4S/c1-14-17(12-13-18(26)27)20(28)25-22(23-14)30-19(15-8-4-2-5-9-15)21(29)24-16-10-6-3-7-11-16/h2-11,19H,12-13H2,1H3,(H,24,29)(H,26,27)(H,23,25,28)