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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC(=O)NC2=CC=CC(=C2)C(C)C)CCC(=O)O

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC(=O)NC2=CC=CC(=C2)C(C)C)CCC(=O)O

InChI

InChI=1S/C19H23N3O4S/c1-11(2)13-5-4-6-14(9-13)21-16(23)10-27-19-20-12(3)15(18(26)22-19)7-8-17(24)25/h4-6,9,11H,7-8,10H2,1-3H3,(H,21,23)(H,24,25)(H,20,22,26)