(4-bromophenyl) 5-chloranyl-2-propylsulfanyl-pyrimidine-4-carboxylate

Systemtic Name: (4-bromophenyl) 5-chloranyl-2-propylsulfanyl-pyrimidine-4-carboxylate Openeye Name: (4-bromophenyl) 5-chloro-2-propylsulfanyl-pyrimidine-4-carboxylate CAS Name: 5-chloro-2-(propylthio)-4-pyrimidinecarboxylic acid (4-bromophenyl) ester IUPAC Name: (4-bromophenyl) 5-chloro-2-propylsulfanylpyrimidine-4-carboxylate Traditional Name: 5-chloro-2-(propylthio)pyrimidine-4-carboxylic acid (4-bromophenyl) ester Formula: C14H12BrClN2O2S MolecularWeight: 387.67928

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC=C(C(=N1)C(=O)OC2=CC=C(C=C2)Br)Cl

Isomeric SMILES

CCCSC1=NC=C(C(=N1)C(=O)OC2=CC=C(C=C2)Br)Cl

InChI

InChI=1S/C14H12BrClN2O2S/c1-2-7-21-14-17-8-11(16)12(18-14)13(19)20-10-5-3-9(15)4-6-10/h3-6,8H,2,7H2,1H3