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

Systemtic Name: 2-[5-[(4-bromophenyl)methyl]-1,4-dimethyl-6-oxidanylidene-pyrimidin-2-yl]sulfanylethanoic acid Openeye Name: 2-[5-[(4-bromophenyl)methyl]-1,4-dimethyl-6-oxo-pyrimidin-2-yl]sulfanylacetic acid CAS Name: 2-[[5-[(4-bromophenyl)methyl]-1,4-dimethyl-6-oxo-2-pyrimidinyl]thio]acetic acid IUPAC Name: 2-[5-[(4-bromophenyl)methyl]-1,4-dimethyl-6-oxopyrimidin-2-yl]sulfanylacetic acid Traditional Name: 2-[[5-(4-bromobenzyl)-6-keto-1,4-dimethyl-pyrimidin-2-yl]thio]acetic acid Formula: C15H15BrN2O3S MolecularWeight: 383.2602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15BrN2O3S/c1-9-12(7-10-3-5-11(16)6-4-10)14(21)18(2)15(17-9)22-8-13(19)20/h3-6H,7-8H2,1-2H3,(H,19,20)