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

Systemtic Name: 3-phenylpropyl 6-(2-azanylethoxymethyl)-4-(3,4-dichlorophenyl)-2-methylsulfanyl-1,4-dihydropyrimidine-5-carboxylate Openeye Name: 3-phenylpropyl 6-(2-aminoethoxymethyl)-4-(3,4-dichlorophenyl)-2-methylsulfanyl-1,4-dihydropyrimidine-5-carboxylate CAS Name: 6-(2-aminoethoxymethyl)-4-(3,4-dichlorophenyl)-2-(methylthio)-1,4-dihydropyrimidine-5-carboxylic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 6-(2-aminoethoxymethyl)-4-(3,4-dichlorophenyl)-2-methylsulfanyl-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 6-(2-aminoethoxymethyl)-4-(3,4-dichlorophenyl)-2-(methylthio)-1,4-dihydropyrimidine-5-carboxylic acid 3-phenylpropyl ester Formula: C24H27Cl2N3O3S MolecularWeight: 508.46048

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(C(=C(N1)COCCN)C(=O)OCCCC2=CC=CC=C2)C3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CSC1=NC(C(=C(N1)COCCN)C(=O)OCCCC2=CC=CC=C2)C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C24H27Cl2N3O3S/c1-33-24-28-20(15-31-13-11-27)21(22(29-24)17-9-10-18(25)19(26)14-17)23(30)32-12-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-10,14,22H,5,8,11-13,15,27H2,1H3,(H,28,29)