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

Systemtic Name: N-[6-azanyl-2-[2,4-bis(oxidanylidene)pentan-3-ylsulfanyl]-4-oxidanylidene-1H-pyrimidin-5-yl]-5-bromanyl-furan-2-carboxamide Openeye Name: N-[2-(1-acetyl-2-oxo-propyl)sulfanyl-6-amino-4-oxo-1H-pyrimidin-5-yl]-5-bromo-furan-2-carboxamide CAS Name: N-[6-amino-2-(2,4-dioxopentan-3-ylthio)-4-oxo-1H-pyrimidin-5-yl]-5-bromo-2-furancarboxamide IUPAC Name: N-[6-amino-2-(2,4-dioxopentan-3-ylsulfanyl)-4-oxo-1H-pyrimidin-5-yl]-5-bromofuran-2-carboxamide Traditional Name: N-[2-[(1-acetyl-2-keto-propyl)thio]-6-amino-4-keto-1H-pyrimidin-5-yl]-5-bromo-2-furamide Formula: C14H13BrN4O5S MolecularWeight: 429.24582

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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(O2)Br

Isomeric SMILES

CC(=O)C(C(=O)C)SC1=NC(=O)C(=C(N1)N)NC(=O)C2=CC=C(O2)Br

InChI

InChI=1S/C14H13BrN4O5S/c1-5(20)10(6(2)21)25-14-18-11(16)9(13(23)19-14)17-12(22)7-3-4-8(15)24-7/h3-4,10H,1-2H3,(H,17,22)(H3,16,18,19,23)