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

Systemtic Name: (phenylmethyl) 2-[[6-azanyl-5-(furan-2-ylcarbonylamino)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanoate Openeye Name: benzyl 2-[[6-amino-5-(furan-2-carbonylamino)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetate CAS Name: 2-[[6-amino-5-[[2-furanyl(oxo)methyl]amino]-4-oxo-1H-pyrimidin-2-yl]thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[6-amino-5-(furan-2-carbonylamino)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetate Traditional Name: 2-[[6-amino-5-(2-furoylamino)-4-keto-1H-pyrimidin-2-yl]thio]acetic acid benzyl ester Formula: C18H16N4O5S MolecularWeight: 400.40844

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=CO3

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=CO3

InChI

InChI=1S/C18H16N4O5S/c19-15-14(20-16(24)12-7-4-8-26-12)17(25)22-18(21-15)28-10-13(23)27-9-11-5-2-1-3-6-11/h1-8H,9-10H2,(H,20,24)(H3,19,21,22,25)