3-[2-[(4-aminocarbonylphenyl)methylsulfanyl]-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]propanoic acid

Systemtic Name: 3-[2-[(4-aminocarbonylphenyl)methylsulfanyl]-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]propanoic acid Openeye Name: 3-[2-[(4-carbamoylphenyl)methylsulfanyl]-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid CAS Name: 3-[2-[(4-carbamoylphenyl)methylthio]-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid IUPAC Name: 3-[2-[(4-carbamoylphenyl)methylsulfanyl]-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid Traditional Name: 3-[2-[(4-carbamoylbenzyl)thio]-4-keto-6-methyl-1H-pyrimidin-5-yl]propionic acid Formula: C16H17N3O4S MolecularWeight: 347.38888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC2=CC=C(C=C2)C(=O)N)CCC(=O)O

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC2=CC=C(C=C2)C(=O)N)CCC(=O)O

InChI

InChI=1S/C16H17N3O4S/c1-9-12(6-7-13(20)21)15(23)19-16(18-9)24-8-10-2-4-11(5-3-10)14(17)22/h2-5H,6-8H2,1H3,(H2,17,22)(H,20,21)(H,18,19,23)