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

Systemtic Name: N-[6-azanyl-4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-5-yl]-5-bromanyl-furan-2-carboxamide Openeye Name: N-(6-amino-2-benzylsulfanyl-4-oxo-1H-pyrimidin-5-yl)-5-bromo-furan-2-carboxamide CAS Name: N-[6-amino-4-oxo-2-(phenylmethylthio)-1H-pyrimidin-5-yl]-5-bromo-2-furancarboxamide IUPAC Name: N-(6-amino-2-benzylsulfanyl-4-oxo-1H-pyrimidin-5-yl)-5-bromofuran-2-carboxamide Traditional Name: N-[6-amino-2-(benzylthio)-4-keto-1H-pyrimidin-5-yl]-5-bromo-2-furamide Formula: C16H13BrN4O3S MolecularWeight: 421.26842

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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

Isomeric SMILES

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

InChI

InChI=1S/C16H13BrN4O3S/c17-11-7-6-10(24-11)14(22)19-12-13(18)20-16(21-15(12)23)25-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,19,22)(H3,18,20,21,23)