2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-4-methylsulfanyl-2-pyridin-3-yl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid

Systemtic Name: 2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-4-methylsulfanyl-2-pyridin-3-yl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid Openeye Name: 2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-4-methylsulfanyl-2-(3-pyridyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid CAS Name: 2-[(4-methoxyphenyl)methylthio]-6-methyl-4-(methylthio)-2-(3-pyridinyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid IUPAC Name: 2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-4-methylsulfanyl-2-pyridin-3-yl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid Traditional Name: 6-methyl-4-(methylthio)-2-(p-anisylthio)-2-(3-pyridyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid Formula: C20H23N3O3S2 MolecularWeight: 417.54492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(N1)(C2=CN=CC=C2)SCC3=CC=C(C=C3)OC)SC)C(=O)O

Isomeric SMILES

CC1=C(C(NC(N1)(C2=CN=CC=C2)SCC3=CC=C(C=C3)OC)SC)C(=O)O

InChI

InChI=1S/C20H23N3O3S2/c1-13-17(19(24)25)18(27-3)23-20(22-13,15-5-4-10-21-11-15)28-12-14-6-8-16(26-2)9-7-14/h4-11,18,22-23H,12H2,1-3H3,(H,24,25)