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

Systemtic Name: N-(4-fluorophenyl)-2-[4-oxidanylidene-3-(phenylmethyl)pteridin-2-yl]sulfanyl-butanamide Openeye Name: 2-(3-benzyl-4-oxo-pteridin-2-yl)sulfanyl-N-(4-fluorophenyl)butanamide CAS Name: N-(4-fluorophenyl)-2-[[4-oxo-3-(phenylmethyl)-2-pteridinyl]thio]butanamide IUPAC Name: 2-(3-benzyl-4-oxopteridin-2-yl)sulfanyl-N-(4-fluorophenyl)butanamide Traditional Name: 2-[(3-benzyl-4-keto-pteridin-2-yl)thio]-N-(4-fluorophenyl)butyramide Formula: C23H20FN5O2S MolecularWeight: 449.500603

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)F)SC2=NC3=NC=CN=C3C(=O)N2CC4=CC=CC=C4

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)F)SC2=NC3=NC=CN=C3C(=O)N2CC4=CC=CC=C4

InChI

InChI=1S/C23H20FN5O2S/c1-2-18(21(30)27-17-10-8-16(24)9-11-17)32-23-28-20-19(25-12-13-26-20)22(31)29(23)14-15-6-4-3-5-7-15/h3-13,18H,2,14H2,1H3,(H,27,30)