ethyl 2-[[6-azanyl-5-[(5-bromanylfuran-2-yl)carbonylamino]-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanoate

Systemtic Name: ethyl 2-[[6-azanyl-5-[(5-bromanylfuran-2-yl)carbonylamino]-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[6-amino-5-[(5-bromofuran-2-carbonyl)amino]-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetate CAS Name: 2-[[6-amino-5-[[(5-bromo-2-furanyl)-oxomethyl]amino]-4-oxo-1H-pyrimidin-2-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[6-amino-5-[(5-bromofuran-2-carbonyl)amino]-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetate Traditional Name: 2-[[6-amino-5-[(5-bromo-2-furoyl)amino]-4-keto-1H-pyrimidin-2-yl]thio]acetic acid ethyl ester Formula: C13H13BrN4O5S MolecularWeight: 417.23512

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC(=O)C(=C(N1)N)NC(=O)C2=CC=C(O2)Br

Isomeric SMILES

CCOC(=O)CSC1=NC(=O)C(=C(N1)N)NC(=O)C2=CC=C(O2)Br

InChI

InChI=1S/C13H13BrN4O5S/c1-2-22-8(19)5-24-13-17-10(15)9(12(21)18-13)16-11(20)6-3-4-7(14)23-6/h3-4H,2,5H2,1H3,(H,16,20)(H3,15,17,18,21)