N-[6-azanyl-2-[2,4-bis(oxidanylidene)pentan-3-ylsulfanyl]-4-oxidanylidene-1H-pyrimidin-5-yl]-4-bromanyl-benzamide

Systemtic Name: N-[6-azanyl-2-[2,4-bis(oxidanylidene)pentan-3-ylsulfanyl]-4-oxidanylidene-1H-pyrimidin-5-yl]-4-bromanyl-benzamide Openeye Name: N-[2-(1-acetyl-2-oxo-propyl)sulfanyl-6-amino-4-oxo-1H-pyrimidin-5-yl]-4-bromo-benzamide CAS Name: N-[6-amino-2-(2,4-dioxopentan-3-ylthio)-4-oxo-1H-pyrimidin-5-yl]-4-bromobenzamide IUPAC Name: N-[6-amino-2-(2,4-dioxopentan-3-ylsulfanyl)-4-oxo-1H-pyrimidin-5-yl]-4-bromobenzamide Traditional Name: N-[2-[(1-acetyl-2-keto-propyl)thio]-6-amino-4-keto-1H-pyrimidin-5-yl]-4-bromo-benzamide Formula: C16H15BrN4O4S MolecularWeight: 439.2837

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15BrN4O4S/c1-7(22)12(8(2)23)26-16-20-13(18)11(15(25)21-16)19-14(24)9-3-5-10(17)6-4-9/h3-6,12H,1-2H3,(H,19,24)(H3,18,20,21,25)