2-[4-azanyl-5-[(4-bromophenyl)methyl]pyrimidin-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[4-azanyl-5-[(4-bromophenyl)methyl]pyrimidin-2-yl]sulfanylethanoic acid Openeye Name: 2-[4-amino-5-[(4-bromophenyl)methyl]pyrimidin-2-yl]sulfanylacetic acid CAS Name: 2-[[4-amino-5-[(4-bromophenyl)methyl]-2-pyrimidinyl]thio]acetic acid IUPAC Name: 2-[4-amino-5-[(4-bromophenyl)methyl]pyrimidin-2-yl]sulfanylacetic acid Traditional Name: 2-[[4-amino-5-(4-bromobenzyl)pyrimidin-2-yl]thio]acetic acid Formula: C13H12BrN3O2S MolecularWeight: 354.22228

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=CN=C(N=C2N)SCC(=O)O)Br

Isomeric SMILES

C1=CC(=CC=C1CC2=CN=C(N=C2N)SCC(=O)O)Br

InChI

InChI=1S/C13H12BrN3O2S/c14-10-3-1-8(2-4-10)5-9-6-16-13(17-12(9)15)20-7-11(18)19/h1-4,6H,5,7H2,(H,18,19)(H2,15,16,17)