(2R)-2-[[6-azanyl-5-[(5-bromanylfuran-2-yl)carbonylamino]-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]butanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@H](C(=O)O)SC1=NC(=O)C(=C(N1)N)NC(=O)C2=CC=C(O2)Br

InChI

InChI=1S/C13H13BrN4O5S/c1-2-6(12(21)22)24-13-17-9(15)8(11(20)18-13)16-10(19)5-3-4-7(14)23-5/h3-4,6H,2H2,1H3,(H,16,19)(H,21,22)(H3,15,17,18,20)/t6-/m1/s1