N-(6-azanyl-4-oxidanylidene-2-prop-2-ynylsulfanyl-1H-pyrimidin-5-yl)-5-bromanyl-furan-2-carboxamide

Systemtic Name: N-(6-azanyl-4-oxidanylidene-2-prop-2-ynylsulfanyl-1H-pyrimidin-5-yl)-5-bromanyl-furan-2-carboxamide Openeye Name: N-(6-amino-4-oxo-2-prop-2-ynylsulfanyl-1H-pyrimidin-5-yl)-5-bromo-furan-2-carboxamide CAS Name: N-[6-amino-4-oxo-2-(prop-2-ynylthio)-1H-pyrimidin-5-yl]-5-bromo-2-furancarboxamide IUPAC Name: N-(6-amino-4-oxo-2-prop-2-ynylsulfanyl-1H-pyrimidin-5-yl)-5-bromofuran-2-carboxamide Traditional Name: N-[6-amino-4-keto-2-(propargylthio)-1H-pyrimidin-5-yl]-5-bromo-2-furamide Formula: C12H9BrN4O3S MolecularWeight: 369.19386

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Descriptors Computed from Structure

Canonical SMILES:

C#CCSC1=NC(=O)C(=C(N1)N)NC(=O)C2=CC=C(O2)Br

Isomeric SMILES

C#CCSC1=NC(=O)C(=C(N1)N)NC(=O)C2=CC=C(O2)Br

InChI

InChI=1S/C12H9BrN4O3S/c1-2-5-21-12-16-9(14)8(11(19)17-12)15-10(18)6-3-4-7(13)20-6/h1,3-4H,5H2,(H,15,18)(H3,14,16,17,19)