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

Systemtic Name: N-(6-azanyl-4-oxidanylidene-2-phenacylsulfanyl-1H-pyrimidin-5-yl)-5-bromanyl-furan-2-carboxamide Openeye Name: N-(6-amino-4-oxo-2-phenacylsulfanyl-1H-pyrimidin-5-yl)-5-bromo-furan-2-carboxamide CAS Name: N-[6-amino-4-oxo-2-(phenacylthio)-1H-pyrimidin-5-yl]-5-bromo-2-furancarboxamide IUPAC Name: N-(6-amino-4-oxo-2-phenacylsulfanyl-1H-pyrimidin-5-yl)-5-bromofuran-2-carboxamide Traditional Name: N-[6-amino-4-keto-2-(phenacylthio)-1H-pyrimidin-5-yl]-5-bromo-2-furamide Formula: C17H13BrN4O4S MolecularWeight: 449.27852

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=C(O3)Br

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=C(O3)Br

InChI

InChI=1S/C17H13BrN4O4S/c18-12-7-6-11(26-12)15(24)20-13-14(19)21-17(22-16(13)25)27-8-10(23)9-4-2-1-3-5-9/h1-7H,8H2,(H,20,24)(H3,19,21,22,25)