6-methyl-2-methylsulfanyl-4-[2-(5-oxidanylpentylsulfanyl)phenyl]-5,6-dihydro-4H-pyrimidine-1,5-dicarboxylic acid

Systemtic Name: 6-methyl-2-methylsulfanyl-4-[2-(5-oxidanylpentylsulfanyl)phenyl]-5,6-dihydro-4H-pyrimidine-1,5-dicarboxylic acid Openeye Name: 4-[2-(5-hydroxypentylsulfanyl)phenyl]-6-methyl-2-methylsulfanyl-5,6-dihydro-4H-pyrimidine-1,5-dicarboxylic acid CAS Name: 4-[2-(5-hydroxypentylthio)phenyl]-6-methyl-2-(methylthio)-5,6-dihydro-4H-pyrimidine-1,5-dicarboxylic acid IUPAC Name: 4-[2-(5-hydroxypentylsulfanyl)phenyl]-6-methyl-2-methylsulfanyl-5,6-dihydro-4H-pyrimidine-1,5-dicarboxylic acid Traditional Name: 4-[2-(5-hydroxypentylthio)phenyl]-6-methyl-2-(methylthio)-5,6-dihydro-4H-pyrimidine-1,5-dicarboxylic acid Formula: C19H26N2O5S2 MolecularWeight: 426.55014

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(N=C(N1C(=O)O)SC)C2=CC=CC=C2SCCCCCO)C(=O)O

Isomeric SMILES

CC1C(C(N=C(N1C(=O)O)SC)C2=CC=CC=C2SCCCCCO)C(=O)O

InChI

InChI=1S/C19H26N2O5S2/c1-12-15(17(23)24)16(20-18(27-2)21(12)19(25)26)13-8-4-5-9-14(13)28-11-7-3-6-10-22/h4-5,8-9,12,15-16,22H,3,6-7,10-11H2,1-2H3,(H,23,24)(H,25,26)