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

Systemtic Name: 3-[6-methyl-2-[2-[(2-methyl-1-phenyl-propyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl]propanoic acid Openeye Name: 3-[6-methyl-2-[2-[(2-methyl-1-phenyl-propyl)amino]-2-oxo-ethyl]sulfanyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid CAS Name: 3-[6-methyl-2-[[2-[(2-methyl-1-phenylpropyl)amino]-2-oxoethyl]thio]-4-oxo-1H-pyrimidin-5-yl]propanoic acid IUPAC Name: 3-[6-methyl-2-[2-[(2-methyl-1-phenylpropyl)amino]-2-oxoethyl]sulfanyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid Traditional Name: 3-[4-keto-2-[[2-keto-2-[(2-methyl-1-phenyl-propyl)amino]ethyl]thio]-6-methyl-1H-pyrimidin-5-yl]propionic acid Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O4S/c1-12(2)18(14-7-5-4-6-8-14)22-16(24)11-28-20-21-13(3)15(19(27)23-20)9-10-17(25)26/h4-8,12,18H,9-11H2,1-3H3,(H,22,24)(H,25,26)(H,21,23,27)