4-[5-[(4-bromophenyl)methyl]-1,4-dimethyl-6-oxidanylidene-pyrimidin-2-yl]sulfanylbutanoic acid

Systemtic Name: 4-[5-[(4-bromophenyl)methyl]-1,4-dimethyl-6-oxidanylidene-pyrimidin-2-yl]sulfanylbutanoic acid Openeye Name: 4-[5-[(4-bromophenyl)methyl]-1,4-dimethyl-6-oxo-pyrimidin-2-yl]sulfanylbutanoic acid CAS Name: 4-[[5-[(4-bromophenyl)methyl]-1,4-dimethyl-6-oxo-2-pyrimidinyl]thio]butanoic acid IUPAC Name: 4-[5-[(4-bromophenyl)methyl]-1,4-dimethyl-6-oxopyrimidin-2-yl]sulfanylbutanoic acid Traditional Name: 4-[[5-(4-bromobenzyl)-6-keto-1,4-dimethyl-pyrimidin-2-yl]thio]butyric acid Formula: C17H19BrN2O3S MolecularWeight: 411.31336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C(=N1)SCCCC(=O)O)C)CC2=CC=C(C=C2)Br

Isomeric SMILES

CC1=C(C(=O)N(C(=N1)SCCCC(=O)O)C)CC2=CC=C(C=C2)Br

InChI

InChI=1S/C17H19BrN2O3S/c1-11-14(10-12-5-7-13(18)8-6-12)16(23)20(2)17(19-11)24-9-3-4-15(21)22/h5-8H,3-4,9-10H2,1-2H3,(H,21,22)