4-(3-cyanophenyl)-2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-1,4-dihydropyrimidine-5-carboxylic acid

Systemtic Name: 4-(3-cyanophenyl)-2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-1,4-dihydropyrimidine-5-carboxylic acid Openeye Name: 4-(3-cyanophenyl)-2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-1,4-dihydropyrimidine-5-carboxylic acid CAS Name: 4-(3-cyanophenyl)-2-[(4-methoxyphenyl)methylthio]-6-methyl-1,4-dihydropyrimidine-5-carboxylic acid IUPAC Name: 4-(3-cyanophenyl)-2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-1,4-dihydropyrimidine-5-carboxylic acid Traditional Name: 4-(3-cyanophenyl)-6-methyl-2-(p-anisylthio)-1,4-dihydropyrimidine-5-carboxylic acid Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N=C(N1)SCC2=CC=C(C=C2)OC)C3=CC=CC(=C3)C#N)C(=O)O

Isomeric SMILES

CC1=C(C(N=C(N1)SCC2=CC=C(C=C2)OC)C3=CC=CC(=C3)C#N)C(=O)O

InChI

InChI=1S/C21H19N3O3S/c1-13-18(20(25)26)19(16-5-3-4-15(10-16)11-22)24-21(23-13)28-12-14-6-8-17(27-2)9-7-14/h3-10,19H,12H2,1-2H3,(H,23,24)(H,25,26)