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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)NC(=O)CSC2=NC(=O)C(=C(N2)C)CCC(=O)O

Isomeric SMILES

CCCC1=CC=C(C=C1)NC(=O)CSC2=NC(=O)C(=C(N2)C)CCC(=O)O

InChI

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