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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)SC1=NC(=O)C(=C(N1)N)NC(=O)C2=CC=C(O2)Br

Isomeric SMILES

CC(C(=O)OC)SC1=NC(=O)C(=C(N1)N)NC(=O)C2=CC=C(O2)Br

InChI

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