hexyl (4R)-4-[4-(diethylamino)phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: hexyl (4R)-4-[4-(diethylamino)phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: hexyl (4R)-4-[4-(diethylamino)phenyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-4-[4-(diethylamino)phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid hexyl ester IUPAC Name: hexyl (4R)-4-[4-(diethylamino)phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-4-[4-(diethylamino)phenyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid hexyl ester Formula: C22H33N3O2S MolecularWeight: 403.58132

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=C(NC(=S)NC1C2=CC=C(C=C2)N(CC)CC)C

Isomeric SMILES

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

InChI

InChI=1S/C22H33N3O2S/c1-5-8-9-10-15-27-21(26)19-16(4)23-22(28)24-20(19)17-11-13-18(14-12-17)25(6-2)7-3/h11-14,20H,5-10,15H2,1-4H3,(H2,23,24,28)/t20-/m1/s1