6-methyl-4-(2-methylsulfanylpyridin-3-yl)-3-(4-pyridin-4-ylbutyl)-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylic acid

Systemtic Name: 6-methyl-4-(2-methylsulfanylpyridin-3-yl)-3-(4-pyridin-4-ylbutyl)-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylic acid Openeye Name: 6-methyl-4-(2-methylsulfanyl-3-pyridyl)-3-[4-(4-pyridyl)butyl]-2-thioxo-1,4-dihydropyrimidine-5-carboxylic acid CAS Name: 6-methyl-4-[2-(methylthio)-3-pyridinyl]-3-(4-pyridin-4-ylbutyl)-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylic acid IUPAC Name: 6-methyl-4-(2-methylsulfanylpyridin-3-yl)-3-(4-pyridin-4-ylbutyl)-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylic acid Traditional Name: 6-methyl-4-[2-(methylthio)-3-pyridyl]-3-[4-(4-pyridyl)butyl]-2-thioxo-1,4-dihydropyrimidine-5-carboxylic acid Formula: C21H24N4O2S2 MolecularWeight: 428.57086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N(C(=S)N1)CCCCC2=CC=NC=C2)C3=C(N=CC=C3)SC)C(=O)O

Isomeric SMILES

CC1=C(C(N(C(=S)N1)CCCCC2=CC=NC=C2)C3=C(N=CC=C3)SC)C(=O)O

InChI

InChI=1S/C21H24N4O2S2/c1-14-17(20(26)27)18(16-7-5-10-23-19(16)29-2)25(21(28)24-14)13-4-3-6-15-8-11-22-12-9-15/h5,7-12,18H,3-4,6,13H2,1-2H3,(H,24,28)(H,26,27)