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

Systemtic Name: N-[6-azanyl-4-oxidanylidene-2-(pyridin-2-ylmethylsulfanyl)-1H-pyrimidin-5-yl]-5-bromanyl-furan-2-carboxamide Openeye Name: N-[6-amino-4-oxo-2-(2-pyridylmethylsulfanyl)-1H-pyrimidin-5-yl]-5-bromo-furan-2-carboxamide CAS Name: N-[6-amino-4-oxo-2-(2-pyridinylmethylthio)-1H-pyrimidin-5-yl]-5-bromo-2-furancarboxamide IUPAC Name: N-[6-amino-4-oxo-2-(pyridin-2-ylmethylsulfanyl)-1H-pyrimidin-5-yl]-5-bromofuran-2-carboxamide Traditional Name: N-[6-amino-4-keto-2-(2-pyridylmethylthio)-1H-pyrimidin-5-yl]-5-bromo-2-furamide Formula: C15H12BrN5O3S MolecularWeight: 422.25648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12BrN5O3S/c16-10-5-4-9(24-10)13(22)19-11-12(17)20-15(21-14(11)23)25-7-8-3-1-2-6-18-8/h1-6H,7H2,(H,19,22)(H3,17,20,21,23)