8-phenyloctyl 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: 8-phenyloctyl 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: 8-phenyloctyl 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 8-phenyloctyl ester IUPAC Name: 8-phenyloctyl 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 8-phenyloctyl ester Formula: C20H28N2O2S MolecularWeight: 360.51352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CNC(=S)N1)C(=O)OCCCCCCCCC2=CC=CC=C2

Isomeric SMILES

CC1=C(CNC(=S)N1)C(=O)OCCCCCCCCC2=CC=CC=C2

InChI

InChI=1S/C20H28N2O2S/c1-16-18(15-21-20(25)22-16)19(23)24-14-10-5-3-2-4-7-11-17-12-8-6-9-13-17/h6,8-9,12-13H,2-5,7,10-11,14-15H2,1H3,(H2,21,22,25)