N-[6-azanyl-2-[(2-fluorophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-5-yl]-5-bromanyl-furan-2-carboxamide

Systemtic Name: N-[6-azanyl-2-[(2-fluorophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-5-yl]-5-bromanyl-furan-2-carboxamide Openeye Name: N-[6-amino-2-[(2-fluorophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-5-yl]-5-bromo-furan-2-carboxamide CAS Name: N-[6-amino-2-[(2-fluorophenyl)methylthio]-4-oxo-1H-pyrimidin-5-yl]-5-bromo-2-furancarboxamide IUPAC Name: N-[6-amino-2-[(2-fluorophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-5-yl]-5-bromofuran-2-carboxamide Traditional Name: N-[6-amino-2-[(2-fluorobenzyl)thio]-4-keto-1H-pyrimidin-5-yl]-5-bromo-2-furamide Formula: C16H12BrFN4O3S MolecularWeight: 439.258883

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12BrFN4O3S/c17-11-6-5-10(25-11)14(23)20-12-13(19)21-16(22-15(12)24)26-7-8-3-1-2-4-9(8)18/h1-6H,7H2,(H,20,23)(H3,19,21,22,24)