1-(4-bromophenyl)-4-(5-ethanoyl-2,6-dimethyl-pyrimidin-4-yl)sulfanyl-butan-1-one

Systemtic Name: 1-(4-bromophenyl)-4-(5-ethanoyl-2,6-dimethyl-pyrimidin-4-yl)sulfanyl-butan-1-one Openeye Name: 4-(5-acetyl-2,6-dimethyl-pyrimidin-4-yl)sulfanyl-1-(4-bromophenyl)butan-1-one CAS Name: 4-[(5-acetyl-2,6-dimethyl-4-pyrimidinyl)thio]-1-(4-bromophenyl)-1-butanone IUPAC Name: 4-(5-acetyl-2,6-dimethylpyrimidin-4-yl)sulfanyl-1-(4-bromophenyl)butan-1-one Traditional Name: 4-[(5-acetyl-2,6-dimethyl-pyrimidin-4-yl)thio]-1-(4-bromophenyl)butan-1-one Formula: C18H19BrN2O2S MolecularWeight: 407.32466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)SCCCC(=O)C2=CC=C(C=C2)Br)C(=O)C

Isomeric SMILES

CC1=C(C(=NC(=N1)C)SCCCC(=O)C2=CC=C(C=C2)Br)C(=O)C

InChI

InChI=1S/C18H19BrN2O2S/c1-11-17(12(2)22)18(21-13(3)20-11)24-10-4-5-16(23)14-6-8-15(19)9-7-14/h6-9H,4-5,10H2,1-3H3