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

Systemtic Name: 5-bromanyl-4-methyl-6-[(4-nitrophenyl)methylsulfanyl]pyrimidin-2-amine Openeye Name: 5-bromo-4-methyl-6-[(4-nitrophenyl)methylsulfanyl]pyrimidin-2-amine CAS Name: 5-bromo-4-methyl-6-[(4-nitrophenyl)methylthio]-2-pyrimidinamine IUPAC Name: 5-bromo-4-methyl-6-[(4-nitrophenyl)methylsulfanyl]pyrimidin-2-amine Traditional Name: [5-bromo-4-methyl-6-[(4-nitrobenzyl)thio]pyrimidin-2-yl]amine Formula: C12H11BrN4O2S MolecularWeight: 355.21034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)N)SCC2=CC=C(C=C2)[N+](=O)[O-])Br

Isomeric SMILES

CC1=C(C(=NC(=N1)N)SCC2=CC=C(C=C2)[N+](=O)[O-])Br

InChI

InChI=1S/C12H11BrN4O2S/c1-7-10(13)11(16-12(14)15-7)20-6-8-2-4-9(5-3-8)17(18)19/h2-5H,6H2,1H3,(H2,14,15,16)