2-[(4-bromophenyl)methylsulfanyl]-3-(2-methylpropyl)-6-oxidanylidene-pyrimidin-4-olate

Systemtic Name: 2-[(4-bromophenyl)methylsulfanyl]-3-(2-methylpropyl)-6-oxidanylidene-pyrimidin-4-olate Openeye Name: 2-[(4-bromophenyl)methylsulfanyl]-3-isobutyl-6-oxo-pyrimidin-4-olate CAS Name: 2-[(4-bromophenyl)methylthio]-3-(2-methylpropyl)-6-oxo-4-pyrimidinolate IUPAC Name: 2-[(4-bromophenyl)methylsulfanyl]-3-(2-methylpropyl)-6-oxopyrimidin-4-olate Traditional Name: 2-[(4-bromobenzyl)thio]-3-isobutyl-6-keto-pyrimidin-4-olate Formula: C15H16BrN2O2S- MolecularWeight: 368.26874

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=CC(=O)N=C1SCC2=CC=C(C=C2)Br)[O-]

Isomeric SMILES

CC(C)CN1C(=CC(=O)N=C1SCC2=CC=C(C=C2)Br)[O-]

InChI

InChI=1S/C15H17BrN2O2S/c1-10(2)8-18-14(20)7-13(19)17-15(18)21-9-11-3-5-12(16)6-4-11/h3-7,10,20H,8-9H2,1-2H3/p-1