ethyl 4-[2-[[6-azanyl-5-(furan-2-ylcarbonylamino)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[[6-azanyl-5-(furan-2-ylcarbonylamino)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[[6-amino-5-(furan-2-carbonylamino)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[[6-amino-5-[[2-furanyl(oxo)methyl]amino]-4-oxo-1H-pyrimidin-2-yl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[[6-amino-5-(furan-2-carbonylamino)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[[6-amino-5-(2-furoylamino)-4-keto-1H-pyrimidin-2-yl]thio]acetyl]amino]benzoic acid ethyl ester Formula: C20H19N5O6S MolecularWeight: 457.45976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N5O6S/c1-2-30-19(29)11-5-7-12(8-6-11)22-14(26)10-32-20-24-16(21)15(18(28)25-20)23-17(27)13-4-3-9-31-13/h3-9H,2,10H2,1H3,(H,22,26)(H,23,27)(H3,21,24,25,28)