3-[(5-aminocarbonyl-6-methyl-4-phenyl-1,4-dihydropyrimidin-2-yl)sulfanyl]propanoic acid

Systemtic Name: 3-[(5-aminocarbonyl-6-methyl-4-phenyl-1,4-dihydropyrimidin-2-yl)sulfanyl]propanoic acid Openeye Name: 3-[(5-carbamoyl-6-methyl-4-phenyl-1,4-dihydropyrimidin-2-yl)sulfanyl]propanoic acid CAS Name: 3-[(5-carbamoyl-6-methyl-4-phenyl-1,4-dihydropyrimidin-2-yl)thio]propanoic acid IUPAC Name: 3-[(5-carbamoyl-6-methyl-4-phenyl-1,4-dihydropyrimidin-2-yl)sulfanyl]propanoic acid Traditional Name: 3-[(5-carbamoyl-6-methyl-4-phenyl-1,4-dihydropyrimidin-2-yl)thio]propionic acid Formula: C15H17N3O3S MolecularWeight: 319.37878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N=C(N1)SCCC(=O)O)C2=CC=CC=C2)C(=O)N

Isomeric SMILES

CC1=C(C(N=C(N1)SCCC(=O)O)C2=CC=CC=C2)C(=O)N

InChI

InChI=1S/C15H17N3O3S/c1-9-12(14(16)21)13(10-5-3-2-4-6-10)18-15(17-9)22-8-7-11(19)20/h2-6,13H,7-8H2,1H3,(H2,16,21)(H,17,18)(H,19,20)