ethyl 4-azanyl-2-[(4-bromophenyl)methylsulfanyl]pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[(4-bromophenyl)methylsulfanyl]pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[(4-bromophenyl)methylsulfanyl]pyrimidine-5-carboxylate CAS Name: 4-amino-2-[(4-bromophenyl)methylthio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[(4-bromophenyl)methylsulfanyl]pyrimidine-5-carboxylate Traditional Name: 4-amino-2-[(4-bromobenzyl)thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C14H14BrN3O2S MolecularWeight: 368.24886

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC2=CC=C(C=C2)Br

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC2=CC=C(C=C2)Br

InChI

InChI=1S/C14H14BrN3O2S/c1-2-20-13(19)11-7-17-14(18-12(11)16)21-8-9-3-5-10(15)6-4-9/h3-7H,2,8H2,1H3,(H2,16,17,18)