3-[2-[1-[(2,6-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanyl-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]propanoic acid

Systemtic Name: 3-[2-[1-[(2,6-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanyl-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]propanoic acid Openeye Name: 3-[2-[2-(2,6-dimethylanilino)-1-methyl-2-oxo-ethyl]sulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid CAS Name: 3-[2-[[1-(2,6-dimethylanilino)-1-oxopropan-2-yl]thio]-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid IUPAC Name: 3-[2-[1-(2,6-dimethylanilino)-1-oxopropan-2-yl]sulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid Traditional Name: 3-[2-[[2-(2,6-dimethylanilino)-2-keto-1-methyl-ethyl]thio]-4-keto-6-methyl-1H-pyrimidin-5-yl]propionic acid Formula: C19H23N3O4S MolecularWeight: 389.46862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C(C)SC2=NC(=O)C(=C(N2)C)CCC(=O)O

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C(C)SC2=NC(=O)C(=C(N2)C)CCC(=O)O

InChI

InChI=1S/C19H23N3O4S/c1-10-6-5-7-11(2)16(10)21-17(25)13(4)27-19-20-12(3)14(18(26)22-19)8-9-15(23)24/h5-7,13H,8-9H2,1-4H3,(H,21,25)(H,23,24)(H,20,22,26)