ethyl 6-methyl-2-[(4-nitrophenyl)methylsulfanyl]-4-phenyl-1,4-dihydropyrimidine-5-carboxylate hydrobromide

Systemtic Name: ethyl 6-methyl-2-[(4-nitrophenyl)methylsulfanyl]-4-phenyl-1,4-dihydropyrimidine-5-carboxylate hydrobromide Openeye Name: ethyl 6-methyl-2-[(4-nitrophenyl)methylsulfanyl]-4-phenyl-1,4-dihydropyrimidine-5-carboxylate hydrobromide CAS Name: 6-methyl-2-[(4-nitrophenyl)methylthio]-4-phenyl-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester hydrobromide IUPAC Name: ethyl 6-methyl-2-[(4-nitrophenyl)methylsulfanyl]-4-phenyl-1,4-dihydropyrimidine-5-carboxylate hydrobromide Traditional Name: 6-methyl-2-[(4-nitrobenzyl)thio]-4-phenyl-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester hydrobromide Formula: C21H22BrN3O4S MolecularWeight: 492.38608

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=NC1C2=CC=CC=C2)SCC3=CC=C(C=C3)[N+](=O)[O-])C.Br

Isomeric SMILES

CCOC(=O)C1=C(NC(=NC1C2=CC=CC=C2)SCC3=CC=C(C=C3)[N+](=O)[O-])C.Br

InChI

InChI=1S/C21H21N3O4S.BrH/c1-3-28-20(25)18-14(2)22-21(23-19(18)16-7-5-4-6-8-16)29-13-15-9-11-17(12-10-15)24(26)27;/h4-12,19H,3,13H2,1-2H3,(H,22,23);1H