ethyl 2-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-4-(3-bromophenyl)-6-methyl-1,4-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 2-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-4-(3-bromophenyl)-6-methyl-1,4-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 2-(2-amino-2-oxo-ethyl)sulfanyl-4-(3-bromophenyl)-6-methyl-1,4-dihydropyrimidine-5-carboxylate CAS Name: 2-[(2-amino-2-oxoethyl)thio]-4-(3-bromophenyl)-6-methyl-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(2-amino-2-oxoethyl)sulfanyl-4-(3-bromophenyl)-6-methyl-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 2-[(2-amino-2-keto-ethyl)thio]-4-(3-bromophenyl)-6-methyl-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C16H18BrN3O3S MolecularWeight: 412.30142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18BrN3O3S/c1-3-23-15(22)13-9(2)19-16(24-8-12(18)21)20-14(13)10-5-4-6-11(17)7-10/h4-7,14H,3,8H2,1-2H3,(H2,18,21)(H,19,20)