3-phenylpropyl 4-(3,4-dichlorophenyl)-6-[(2-diethylaminoethylamino)methyl]-2-methylsulfanyl-1,4-dihydropyrimidine-5-carboxylate

Systemtic Name: 3-phenylpropyl 4-(3,4-dichlorophenyl)-6-[(2-diethylaminoethylamino)methyl]-2-methylsulfanyl-1,4-dihydropyrimidine-5-carboxylate Openeye Name: 3-phenylpropyl 4-(3,4-dichlorophenyl)-6-[(2-diethylaminoethylamino)methyl]-2-methylsulfanyl-1,4-dihydropyrimidine-5-carboxylate CAS Name: 4-(3,4-dichlorophenyl)-6-[(2-diethylaminoethylamino)methyl]-2-(methylthio)-1,4-dihydropyrimidine-5-carboxylic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-(3,4-dichlorophenyl)-6-[(2-diethylaminoethylamino)methyl]-2-methylsulfanyl-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 4-(3,4-dichlorophenyl)-6-[(2-diethylaminoethylamino)methyl]-2-(methylthio)-1,4-dihydropyrimidine-5-carboxylic acid 3-phenylpropyl ester Formula: C28H36Cl2N4O2S MolecularWeight: 563.58204

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNCC1=C(C(N=C(N1)SC)C2=CC(=C(C=C2)Cl)Cl)C(=O)OCCCC3=CC=CC=C3

Isomeric SMILES

CCN(CC)CCNCC1=C(C(N=C(N1)SC)C2=CC(=C(C=C2)Cl)Cl)C(=O)OCCCC3=CC=CC=C3

InChI

InChI=1S/C28H36Cl2N4O2S/c1-4-34(5-2)16-15-31-19-24-25(27(35)36-17-9-12-20-10-7-6-8-11-20)26(33-28(32-24)37-3)21-13-14-22(29)23(30)18-21/h6-8,10-11,13-14,18,26,31H,4-5,9,12,15-17,19H2,1-3H3,(H,32,33)