2-(3-chlorophenyl)ethyl 4-[3-(dimethylamino)propanoyloxymethyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: 2-(3-chlorophenyl)ethyl 4-[3-(dimethylamino)propanoyloxymethyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: 2-(3-chlorophenyl)ethyl 4-[3-(dimethylamino)propanoyloxymethyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-[[3-(dimethylamino)-1-oxopropoxy]methyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-(3-chlorophenyl)ethyl ester IUPAC Name: 2-(3-chlorophenyl)ethyl 4-[3-(dimethylamino)propanoyloxymethyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-[3-(dimethylamino)propanoyloxymethyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-(3-chlorophenyl)ethyl ester Formula: C20H26ClN3O4S MolecularWeight: 439.95614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)COC(=O)CCN(C)C)C(=O)OCCC2=CC(=CC=C2)Cl

Isomeric SMILES

CC1=C(C(NC(=S)N1)COC(=O)CCN(C)C)C(=O)OCCC2=CC(=CC=C2)Cl

InChI

InChI=1S/C20H26ClN3O4S/c1-13-18(19(26)27-10-8-14-5-4-6-15(21)11-14)16(23-20(29)22-13)12-28-17(25)7-9-24(2)3/h4-6,11,16H,7-10,12H2,1-3H3,(H2,22,23,29)