2-(4-butylsulfanylphenyl)-6-(hydroxymethyl)-2-methylsulfanyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid

Systemtic Name: 2-(4-butylsulfanylphenyl)-6-(hydroxymethyl)-2-methylsulfanyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid Openeye Name: 2-(4-butylsulfanylphenyl)-6-(hydroxymethyl)-2-methylsulfanyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid CAS Name: 2-[4-(butylthio)phenyl]-6-(hydroxymethyl)-2-(methylthio)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid IUPAC Name: 2-(4-butylsulfanylphenyl)-6-(hydroxymethyl)-2-methylsulfanyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid Traditional Name: 2-[4-(butylthio)phenyl]-6-methylol-2-(methylthio)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid Formula: C17H24N2O3S2 MolecularWeight: 368.51406

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=CC=C(C=C1)C2(NCC(=C(N2)CO)C(=O)O)SC

Isomeric SMILES

CCCCSC1=CC=C(C=C1)C2(NCC(=C(N2)CO)C(=O)O)SC

InChI

InChI=1S/C17H24N2O3S2/c1-3-4-9-24-13-7-5-12(6-8-13)17(23-2)18-10-14(16(21)22)15(11-20)19-17/h5-8,18-20H,3-4,9-11H2,1-2H3,(H,21,22)