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

Systemtic Name: 6-methyl-4-(2-methylsulfanylpyridin-3-yl)-2-oxidanylidene-3-(4-pyrimidin-4-ylbutyl)-1,4-dihydropyrimidine-5-carboxylic acid Openeye Name: 6-methyl-4-(2-methylsulfanyl-3-pyridyl)-2-oxo-3-(4-pyrimidin-4-ylbutyl)-1,4-dihydropyrimidine-5-carboxylic acid CAS Name: 6-methyl-4-[2-(methylthio)-3-pyridinyl]-2-oxo-3-[4-(4-pyrimidinyl)butyl]-1,4-dihydropyrimidine-5-carboxylic acid IUPAC Name: 6-methyl-4-(2-methylsulfanylpyridin-3-yl)-2-oxo-3-(4-pyrimidin-4-ylbutyl)-1,4-dihydropyrimidine-5-carboxylic acid Traditional Name: 2-keto-6-methyl-4-[2-(methylthio)-3-pyridyl]-3-[4-(4-pyrimidyl)butyl]-1,4-dihydropyrimidine-5-carboxylic acid Formula: C20H23N5O3S MolecularWeight: 413.49332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N5O3S/c1-13-16(19(26)27)17(15-7-5-9-22-18(15)29-2)25(20(28)24-13)11-4-3-6-14-8-10-21-12-23-14/h5,7-10,12,17H,3-4,6,11H2,1-2H3,(H,24,28)(H,26,27)