propyl 4-[[5-cyano-6-(furan-2-yl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanylmethyl]benzoate

Systemtic Name: propyl 4-[[5-cyano-6-(furan-2-yl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanylmethyl]benzoate Openeye Name: propyl 4-[[5-cyano-6-(2-furyl)-4-oxo-1H-pyrimidin-2-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[5-cyano-6-(2-furanyl)-4-oxo-1H-pyrimidin-2-yl]thio]methyl]benzoic acid propyl ester IUPAC Name: propyl 4-[[5-cyano-6-(furan-2-yl)-4-oxo-1H-pyrimidin-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[5-cyano-6-(2-furyl)-4-keto-1H-pyrimidin-2-yl]thio]methyl]benzoic acid propyl ester Formula: C20H17N3O4S MolecularWeight: 395.43168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17N3O4S/c1-2-9-27-19(25)14-7-5-13(6-8-14)12-28-20-22-17(16-4-3-10-26-16)15(11-21)18(24)23-20/h3-8,10H,2,9,12H2,1H3,(H,22,23,24)