propan-2-yl 2-[2-(diethylamino)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-4-(4-methylsulfanylphenyl)-1,4-dihydropyrimidine-5-carboxylate

Systemtic Name: propan-2-yl 2-[2-(diethylamino)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-4-(4-methylsulfanylphenyl)-1,4-dihydropyrimidine-5-carboxylate Openeye Name: isopropyl 2-[2-(diethylamino)-2-oxo-ethyl]sulfanyl-6-methyl-4-(4-methylsulfanylphenyl)-1,4-dihydropyrimidine-5-carboxylate CAS Name: 2-[[2-(diethylamino)-2-oxoethyl]thio]-6-methyl-4-[4-(methylthio)phenyl]-1,4-dihydropyrimidine-5-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[2-(diethylamino)-2-oxoethyl]sulfanyl-6-methyl-4-(4-methylsulfanylphenyl)-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 2-[[2-(diethylamino)-2-keto-ethyl]thio]-6-methyl-4-[4-(methylthio)phenyl]-1,4-dihydropyrimidine-5-carboxylic acid isopropyl ester Formula: C22H31N3O3S2 MolecularWeight: 449.62984

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CSC1=NC(C(=C(N1)C)C(=O)OC(C)C)C2=CC=C(C=C2)SC

Isomeric SMILES

CCN(CC)C(=O)CSC1=NC(C(=C(N1)C)C(=O)OC(C)C)C2=CC=C(C=C2)SC

InChI

InChI=1S/C22H31N3O3S2/c1-7-25(8-2)18(26)13-30-22-23-15(5)19(21(27)28-14(3)4)20(24-22)16-9-11-17(29-6)12-10-16/h9-12,14,20H,7-8,13H2,1-6H3,(H,23,24)