ethyl 4-(3-bromophenyl)-2-ethylsulfanyl-6-methyl-1,4-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(3-bromophenyl)-2-ethylsulfanyl-6-methyl-1,4-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 4-(3-bromophenyl)-2-ethylsulfanyl-6-methyl-1,4-dihydropyrimidine-5-carboxylate CAS Name: 4-(3-bromophenyl)-2-(ethylthio)-6-methyl-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-bromophenyl)-2-ethylsulfanyl-6-methyl-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 4-(3-bromophenyl)-2-(ethylthio)-6-methyl-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C16H19BrN2O2S MolecularWeight: 383.30326

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=NC1C2=CC(=CC=C2)Br)SCC)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=NC1C2=CC(=CC=C2)Br)SCC)C

InChI

InChI=1S/C16H19BrN2O2S/c1-4-21-15(20)13-10(3)18-16(22-5-2)19-14(13)11-7-6-8-12(17)9-11/h6-9,14H,4-5H2,1-3H3,(H,18,19)