[6-(octylamino)-6-oxidanylidene-hexyl] 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: [6-(octylamino)-6-oxidanylidene-hexyl] 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: [6-(octylamino)-6-oxo-hexyl] 6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid [6-(octylamino)-6-oxohexyl] ester IUPAC Name: [6-(octylamino)-6-oxohexyl] 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid [6-keto-6-(octylamino)hexyl] ester Formula: C20H35N3O3S MolecularWeight: 397.5752

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)CCCCCOC(=O)C1=C(NC(=S)NC1)C

Isomeric SMILES

CCCCCCCCNC(=O)CCCCCOC(=O)C1=C(NC(=S)NC1)C

InChI

InChI=1S/C20H35N3O3S/c1-3-4-5-6-7-10-13-21-18(24)12-9-8-11-14-26-19(25)17-15-22-20(27)23-16(17)2/h3-15H2,1-2H3,(H,21,24)(H2,22,23,27)