N-[6-azanyl-2-(3-methylbutylsulfanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]-5-bromanyl-furan-2-carboxamide

Systemtic Name: N-[6-azanyl-2-(3-methylbutylsulfanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]-5-bromanyl-furan-2-carboxamide Openeye Name: N-(6-amino-2-isopentylsulfanyl-4-oxo-1H-pyrimidin-5-yl)-5-bromo-furan-2-carboxamide CAS Name: N-[6-amino-2-(3-methylbutylthio)-4-oxo-1H-pyrimidin-5-yl]-5-bromo-2-furancarboxamide IUPAC Name: N-[6-amino-2-(3-methylbutylsulfanyl)-4-oxo-1H-pyrimidin-5-yl]-5-bromofuran-2-carboxamide Traditional Name: N-[6-amino-2-(isoamylthio)-4-keto-1H-pyrimidin-5-yl]-5-bromo-2-furamide Formula: C14H17BrN4O3S MolecularWeight: 401.27878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17BrN4O3S/c1-7(2)5-6-23-14-18-11(16)10(13(21)19-14)17-12(20)8-3-4-9(15)22-8/h3-4,7H,5-6H2,1-2H3,(H,17,20)(H3,16,18,19,21)