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

Systemtic Name: N-(4-chloranyl-2-fluoranyl-phenyl)-2-[3-(3-methylbutyl)-4-oxidanylidene-pteridin-2-yl]sulfanyl-ethanamide Openeye Name: N-(4-chloro-2-fluoro-phenyl)-2-(3-isopentyl-4-oxo-pteridin-2-yl)sulfanyl-acetamide CAS Name: N-(4-chloro-2-fluorophenyl)-2-[[3-(3-methylbutyl)-4-oxo-2-pteridinyl]thio]acetamide IUPAC Name: N-(4-chloro-2-fluorophenyl)-2-[3-(3-methylbutyl)-4-oxopteridin-2-yl]sulfanylacetamide Traditional Name: N-(4-chloro-2-fluoro-phenyl)-2-[(3-isoamyl-4-keto-pteridin-2-yl)thio]acetamide Formula: C19H19ClFN5O2S MolecularWeight: 435.902863

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=NC=CN=C2N=C1SCC(=O)NC3=C(C=C(C=C3)Cl)F

Isomeric SMILES

CC(C)CCN1C(=O)C2=NC=CN=C2N=C1SCC(=O)NC3=C(C=C(C=C3)Cl)F

InChI

InChI=1S/C19H19ClFN5O2S/c1-11(2)5-8-26-18(28)16-17(23-7-6-22-16)25-19(26)29-10-15(27)24-14-4-3-12(20)9-13(14)21/h3-4,6-7,9,11H,5,8,10H2,1-2H3,(H,24,27)