hexyl (4R)-6-methyl-4-(2-propoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: hexyl (4R)-6-methyl-4-(2-propoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: hexyl (4R)-6-methyl-4-(2-propoxyphenyl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-6-methyl-4-(2-propoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid hexyl ester IUPAC Name: hexyl (4R)-6-methyl-4-(2-propoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-6-methyl-4-(2-propoxyphenyl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid hexyl ester Formula: C21H30N2O3S MolecularWeight: 390.5395

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=C(NC(=S)NC1C2=CC=CC=C2OCCC)C

Isomeric SMILES

CCCCCCOC(=O)C1=C(NC(=S)N[C@@H]1C2=CC=CC=C2OCCC)C

InChI

InChI=1S/C21H30N2O3S/c1-4-6-7-10-14-26-20(24)18-15(3)22-21(27)23-19(18)16-11-8-9-12-17(16)25-13-5-2/h8-9,11-12,19H,4-7,10,13-14H2,1-3H3,(H2,22,23,27)/t19-/m1/s1