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

Systemtic Name: N-(4-chloranyl-2-fluoranyl-phenyl)-2-[3-[(2-methoxyphenyl)methyl]-4-oxidanylidene-pteridin-2-yl]sulfanyl-ethanamide Openeye Name: N-(4-chloro-2-fluoro-phenyl)-2-[3-[(2-methoxyphenyl)methyl]-4-oxo-pteridin-2-yl]sulfanyl-acetamide CAS Name: N-(4-chloro-2-fluorophenyl)-2-[[3-[(2-methoxyphenyl)methyl]-4-oxo-2-pteridinyl]thio]acetamide IUPAC Name: N-(4-chloro-2-fluorophenyl)-2-[3-[(2-methoxyphenyl)methyl]-4-oxopteridin-2-yl]sulfanylacetamide Traditional Name: N-(4-chloro-2-fluoro-phenyl)-2-[(4-keto-3-o-anisyl-pteridin-2-yl)thio]acetamide Formula: C22H17ClFN5O3S MolecularWeight: 485.918483

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CN2C(=O)C3=NC=CN=C3N=C2SCC(=O)NC4=C(C=C(C=C4)Cl)F

Isomeric SMILES

COC1=CC=CC=C1CN2C(=O)C3=NC=CN=C3N=C2SCC(=O)NC4=C(C=C(C=C4)Cl)F

InChI

InChI=1S/C22H17ClFN5O3S/c1-32-17-5-3-2-4-13(17)11-29-21(31)19-20(26-9-8-25-19)28-22(29)33-12-18(30)27-16-7-6-14(23)10-15(16)24/h2-10H,11-12H2,1H3,(H,27,30)