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

Systemtic Name: 3-[[6-methyl-4-phenyl-5-(phenylcarbamoyl)-1,4-dihydropyrimidin-2-yl]sulfanyl]propanoic acid Openeye Name: 3-[[6-methyl-4-phenyl-5-(phenylcarbamoyl)-1,4-dihydropyrimidin-2-yl]sulfanyl]propanoic acid CAS Name: 3-[[5-[anilino(oxo)methyl]-6-methyl-4-phenyl-1,4-dihydropyrimidin-2-yl]thio]propanoic acid IUPAC Name: 3-[[6-methyl-4-phenyl-5-(phenylcarbamoyl)-1,4-dihydropyrimidin-2-yl]sulfanyl]propanoic acid Traditional Name: 3-[[6-methyl-4-phenyl-5-(phenylcarbamoyl)-1,4-dihydropyrimidin-2-yl]thio]propionic acid Formula: C21H21N3O3S MolecularWeight: 395.47474

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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)NC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(N=C(N1)SCCC(=O)O)C2=CC=CC=C2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H21N3O3S/c1-14-18(20(27)23-16-10-6-3-7-11-16)19(15-8-4-2-5-9-15)24-21(22-14)28-13-12-17(25)26/h2-11,19H,12-13H2,1H3,(H,22,24)(H,23,27)(H,25,26)