2,4-dimethoxy-6-[(Z)-1-phenylsulfanylpent-1-enyl]pyrimidine-5-carboxylic acid

Systemtic Name: 2,4-dimethoxy-6-[(Z)-1-phenylsulfanylpent-1-enyl]pyrimidine-5-carboxylic acid Openeye Name: 2,4-dimethoxy-6-[(Z)-1-phenylsulfanylpent-1-enyl]pyrimidine-5-carboxylic acid CAS Name: 2,4-dimethoxy-6-[(Z)-1-(phenylthio)pent-1-enyl]-5-pyrimidinecarboxylic acid IUPAC Name: 2,4-dimethoxy-6-[(Z)-1-phenylsulfanylpent-1-enyl]pyrimidine-5-carboxylic acid Traditional Name: 2,4-dimethoxy-6-[(Z)-1-(phenylthio)pent-1-enyl]pyrimidine-5-carboxylic acid Formula: C18H20N2O4S MolecularWeight: 360.4274

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Descriptors Computed from Structure

Canonical SMILES:

CCCC=C(C1=C(C(=NC(=N1)OC)OC)C(=O)O)SC2=CC=CC=C2

Isomeric SMILES

CCC/C=C(/C1=C(C(=NC(=N1)OC)OC)C(=O)O)\SC2=CC=CC=C2

InChI

InChI=1S/C18H20N2O4S/c1-4-5-11-13(25-12-9-7-6-8-10-12)15-14(17(21)22)16(23-2)20-18(19-15)24-3/h6-11H,4-5H2,1-3H3,(H,21,22)/b13-11-