5-bromanyl-6-methyl-2-methylsulfanyl-3-[(2-nitrophenyl)methyl]pyrimidin-4-one

Systemtic Name: 5-bromanyl-6-methyl-2-methylsulfanyl-3-[(2-nitrophenyl)methyl]pyrimidin-4-one Openeye Name: 5-bromo-6-methyl-2-methylsulfanyl-3-[(2-nitrophenyl)methyl]pyrimidin-4-one CAS Name: 5-bromo-6-methyl-2-(methylthio)-3-[(2-nitrophenyl)methyl]-4-pyrimidinone IUPAC Name: 5-bromo-6-methyl-2-methylsulfanyl-3-[(2-nitrophenyl)methyl]pyrimidin-4-one Traditional Name: 5-bromo-6-methyl-2-(methylthio)-3-(2-nitrobenzyl)pyrimidin-4-one Formula: C13H12BrN3O3S MolecularWeight: 370.22168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C(=N1)SC)CC2=CC=CC=C2[N+](=O)[O-])Br

Isomeric SMILES

CC1=C(C(=O)N(C(=N1)SC)CC2=CC=CC=C2[N+](=O)[O-])Br

InChI

InChI=1S/C13H12BrN3O3S/c1-8-11(14)12(18)16(13(15-8)21-2)7-9-5-3-4-6-10(9)17(19)20/h3-6H,7H2,1-2H3