N-(6-azanyl-2-butan-2-ylsulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl)-4-bromanyl-benzamide

Systemtic Name: N-(6-azanyl-2-butan-2-ylsulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl)-4-bromanyl-benzamide Openeye Name: N-(6-amino-4-oxo-2-sec-butylsulfanyl-1H-pyrimidin-5-yl)-4-bromo-benzamide CAS Name: N-[6-amino-2-(butan-2-ylthio)-4-oxo-1H-pyrimidin-5-yl]-4-bromobenzamide IUPAC Name: N-(6-amino-2-butan-2-ylsulfanyl-4-oxo-1H-pyrimidin-5-yl)-4-bromobenzamide Traditional Name: N-[6-amino-4-keto-2-(sec-butylthio)-1H-pyrimidin-5-yl]-4-bromo-benzamide Formula: C15H17BrN4O2S MolecularWeight: 397.29008

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=NC(=O)C(=C(N1)N)NC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CCC(C)SC1=NC(=O)C(=C(N1)N)NC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C15H17BrN4O2S/c1-3-8(2)23-15-19-12(17)11(14(22)20-15)18-13(21)9-4-6-10(16)7-5-9/h4-8H,3H2,1-2H3,(H,18,21)(H3,17,19,20,22)