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

Systemtic Name: 2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-4-(2-methylsulfanylpyridin-3-yl)-1,4-dihydropyrimidine-5-carboxylic acid Openeye Name: 2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-4-(2-methylsulfanyl-3-pyridyl)-1,4-dihydropyrimidine-5-carboxylic acid CAS Name: 2-[(4-methoxyphenyl)methylthio]-6-methyl-4-[2-(methylthio)-3-pyridinyl]-1,4-dihydropyrimidine-5-carboxylic acid IUPAC Name: 2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-4-(2-methylsulfanylpyridin-3-yl)-1,4-dihydropyrimidine-5-carboxylic acid Traditional Name: 6-methyl-4-[2-(methylthio)-3-pyridyl]-2-(p-anisylthio)-1,4-dihydropyrimidine-5-carboxylic acid Formula: C20H21N3O3S2 MolecularWeight: 415.52904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O3S2/c1-12-16(19(24)25)17(15-5-4-10-21-18(15)27-3)23-20(22-12)28-11-13-6-8-14(26-2)9-7-13/h4-10,17H,11H2,1-3H3,(H,22,23)(H,24,25)