butyl 2-[[5-cyano-6-(furan-2-yl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanoate

Systemtic Name: butyl 2-[[5-cyano-6-(furan-2-yl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanoate Openeye Name: butyl 2-[[5-cyano-6-(2-furyl)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetate CAS Name: 2-[[5-cyano-6-(2-furanyl)-4-oxo-1H-pyrimidin-2-yl]thio]acetic acid butyl ester IUPAC Name: butyl 2-[[5-cyano-6-(furan-2-yl)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetate Traditional Name: 2-[[5-cyano-6-(2-furyl)-4-keto-1H-pyrimidin-2-yl]thio]acetic acid butyl ester Formula: C15H15N3O4S MolecularWeight: 333.3623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CSC1=NC(=O)C(=C(N1)C2=CC=CO2)C#N

Isomeric SMILES

CCCCOC(=O)CSC1=NC(=O)C(=C(N1)C2=CC=CO2)C#N

InChI

InChI=1S/C15H15N3O4S/c1-2-3-6-22-12(19)9-23-15-17-13(11-5-4-7-21-11)10(8-16)14(20)18-15/h4-5,7H,2-3,6,9H2,1H3,(H,17,18,20)