N-(4-chloranyl-2-fluoranyl-phenyl)-2-[3-(furan-2-ylmethyl)-4-oxidanylidene-pteridin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(4-chloranyl-2-fluoranyl-phenyl)-2-[3-(furan-2-ylmethyl)-4-oxidanylidene-pteridin-2-yl]sulfanyl-ethanamide Openeye Name: N-(4-chloro-2-fluoro-phenyl)-2-[3-(2-furylmethyl)-4-oxo-pteridin-2-yl]sulfanyl-acetamide CAS Name: N-(4-chloro-2-fluorophenyl)-2-[[3-(2-furanylmethyl)-4-oxo-2-pteridinyl]thio]acetamide IUPAC Name: N-(4-chloro-2-fluorophenyl)-2-[3-(furan-2-ylmethyl)-4-oxopteridin-2-yl]sulfanylacetamide Traditional Name: N-(4-chloro-2-fluoro-phenyl)-2-[[3-(2-furfuryl)-4-keto-pteridin-2-yl]thio]acetamide Formula: C19H13ClFN5O3S MolecularWeight: 445.854623

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CN2C(=O)C3=NC=CN=C3N=C2SCC(=O)NC4=C(C=C(C=C4)Cl)F

Isomeric SMILES

C1=COC(=C1)CN2C(=O)C3=NC=CN=C3N=C2SCC(=O)NC4=C(C=C(C=C4)Cl)F

InChI

InChI=1S/C19H13ClFN5O3S/c20-11-3-4-14(13(21)8-11)24-15(27)10-30-19-25-17-16(22-5-6-23-17)18(28)26(19)9-12-2-1-7-29-12/h1-8H,9-10H2,(H,24,27)