3-phenylpropyl 4-(3,4-dichlorophenyl)-6-(2-dimethylaminoethyloxymethyl)-2-methylsulfanyl-1,4-dihydropyrimidine-5-carboxylate

Systemtic Name: 3-phenylpropyl 4-(3,4-dichlorophenyl)-6-(2-dimethylaminoethyloxymethyl)-2-methylsulfanyl-1,4-dihydropyrimidine-5-carboxylate Openeye Name: 3-phenylpropyl 4-(3,4-dichlorophenyl)-6-(2-dimethylaminoethyloxymethyl)-2-methylsulfanyl-1,4-dihydropyrimidine-5-carboxylate CAS Name: 4-(3,4-dichlorophenyl)-6-(2-dimethylaminoethyloxymethyl)-2-(methylthio)-1,4-dihydropyrimidine-5-carboxylic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-(3,4-dichlorophenyl)-6-(2-dimethylaminoethyloxymethyl)-2-methylsulfanyl-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 4-(3,4-dichlorophenyl)-6-(2-dimethylaminoethyloxymethyl)-2-(methylthio)-1,4-dihydropyrimidine-5-carboxylic acid 3-phenylpropyl ester Formula: C26H31Cl2N3O3S MolecularWeight: 536.51364

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCOCC1=C(C(N=C(N1)SC)C2=CC(=C(C=C2)Cl)Cl)C(=O)OCCCC3=CC=CC=C3

Isomeric SMILES

CN(C)CCOCC1=C(C(N=C(N1)SC)C2=CC(=C(C=C2)Cl)Cl)C(=O)OCCCC3=CC=CC=C3

InChI

InChI=1S/C26H31Cl2N3O3S/c1-31(2)13-15-33-17-22-23(25(32)34-14-7-10-18-8-5-4-6-9-18)24(30-26(29-22)35-3)19-11-12-20(27)21(28)16-19/h4-6,8-9,11-12,16,24H,7,10,13-15,17H2,1-3H3,(H,29,30)