(2R)-2-[[6-azanyl-5-(furan-2-ylcarbonylamino)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]butanoate

Systemtic Name: (2R)-2-[[6-azanyl-5-(furan-2-ylcarbonylamino)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]butanoate Openeye Name: (2R)-2-[[6-amino-5-(furan-2-carbonylamino)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]butanoate CAS Name: (2R)-2-[[6-amino-5-[[2-furanyl(oxo)methyl]amino]-4-oxo-1H-pyrimidin-2-yl]thio]butanoate IUPAC Name: (2R)-2-[[6-amino-5-(furan-2-carbonylamino)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]butanoate Traditional Name: (2R)-2-[[6-amino-5-(2-furoylamino)-4-keto-1H-pyrimidin-2-yl]thio]butyrate Formula: C13H13N4O5S- MolecularWeight: 337.33112

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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=CO2

Isomeric SMILES

CC[C@H](C(=O)[O-])SC1=NC(=O)C(=C(N1)N)NC(=O)C2=CC=CO2

InChI

InChI=1S/C13H14N4O5S/c1-2-7(12(20)21)23-13-16-9(14)8(11(19)17-13)15-10(18)6-4-3-5-22-6/h3-5,7H,2H2,1H3,(H,15,18)(H,20,21)(H3,14,16,17,19)/p-1/t7-/m1/s1