methyl 5-[(Z)-10-oxidanylhexadec-7-enyl]-4-oxidanylidene-2-sulfanylidene-1H-pyrimidine-6-carboxylate

Systemtic Name: methyl 5-[(Z)-10-oxidanylhexadec-7-enyl]-4-oxidanylidene-2-sulfanylidene-1H-pyrimidine-6-carboxylate Openeye Name: methyl 5-[(Z)-10-hydroxyhexadec-7-enyl]-4-oxo-2-thioxo-1H-pyrimidine-6-carboxylate CAS Name: 5-[(Z)-10-hydroxyhexadec-7-enyl]-4-oxo-2-sulfanylidene-1H-pyrimidine-6-carboxylic acid methyl ester IUPAC Name: methyl 5-[(Z)-10-hydroxyhexadec-7-enyl]-4-oxo-2-sulfanylidene-1H-pyrimidine-6-carboxylate Traditional Name: 5-[(Z)-10-hydroxyhexadec-7-enyl]-4-keto-2-thioxo-1H-pyrimidine-6-carboxylic acid methyl ester Formula: C22H36N2O4S MolecularWeight: 424.59724

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC=CCCCCCCC1=C(NC(=S)NC1=O)C(=O)OC)O

Isomeric SMILES

CCCCCCC(C/C=C\CCCCCCC1=C(NC(=S)NC1=O)C(=O)OC)O

InChI

InChI=1S/C22H36N2O4S/c1-3-4-5-11-14-17(25)15-12-9-7-6-8-10-13-16-18-19(21(27)28-2)23-22(29)24-20(18)26/h9,12,17,25H,3-8,10-11,13-16H2,1-2H3,(H2,23,24,26,29)/b12-9-