N-(4-fluorophenyl)-2-[4-oxidanylidene-3-(phenylmethyl)pteridin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(4-fluorophenyl)-2-[4-oxidanylidene-3-(phenylmethyl)pteridin-2-yl]sulfanyl-ethanamide Openeye Name: 2-(3-benzyl-4-oxo-pteridin-2-yl)sulfanyl-N-(4-fluorophenyl)acetamide CAS Name: N-(4-fluorophenyl)-2-[[4-oxo-3-(phenylmethyl)-2-pteridinyl]thio]acetamide IUPAC Name: 2-(3-benzyl-4-oxopteridin-2-yl)sulfanyl-N-(4-fluorophenyl)acetamide Traditional Name: 2-[(3-benzyl-4-keto-pteridin-2-yl)thio]-N-(4-fluorophenyl)acetamide Formula: C21H16FN5O2S MolecularWeight: 421.447443

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16FN5O2S/c22-15-6-8-16(9-7-15)25-17(28)13-30-21-26-19-18(23-10-11-24-19)20(29)27(21)12-14-4-2-1-3-5-14/h1-11H,12-13H2,(H,25,28)