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

Systemtic Name: 3-[[4-(3-methoxy-4-methyl-phenyl)-6-methyl-5-(phenylcarbamoyl)-1,4-dihydropyrimidin-2-yl]sulfanyl]propanoic acid Openeye Name: 3-[[4-(3-methoxy-4-methyl-phenyl)-6-methyl-5-(phenylcarbamoyl)-1,4-dihydropyrimidin-2-yl]sulfanyl]propanoic acid CAS Name: 3-[[5-[anilino(oxo)methyl]-4-(3-methoxy-4-methylphenyl)-6-methyl-1,4-dihydropyrimidin-2-yl]thio]propanoic acid IUPAC Name: 3-[[4-(3-methoxy-4-methylphenyl)-6-methyl-5-(phenylcarbamoyl)-1,4-dihydropyrimidin-2-yl]sulfanyl]propanoic acid Traditional Name: 3-[[4-(3-methoxy-4-methyl-phenyl)-6-methyl-5-(phenylcarbamoyl)-1,4-dihydropyrimidin-2-yl]thio]propionic acid Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2C(=C(NC(=N2)SCCC(=O)O)C)C(=O)NC3=CC=CC=C3)OC

Isomeric SMILES

CC1=C(C=C(C=C1)C2C(=C(NC(=N2)SCCC(=O)O)C)C(=O)NC3=CC=CC=C3)OC

InChI

InChI=1S/C23H25N3O4S/c1-14-9-10-16(13-18(14)30-3)21-20(22(29)25-17-7-5-4-6-8-17)15(2)24-23(26-21)31-12-11-19(27)28/h4-10,13,21H,11-12H2,1-3H3,(H,24,26)(H,25,29)(H,27,28)