N-(4-bromophenyl)-2-(4-oxidanylidene-3-phenethyl-pteridin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(4-bromophenyl)-2-(4-oxidanylidene-3-phenethyl-pteridin-2-yl)sulfanyl-ethanamide Openeye Name: N-(4-bromophenyl)-2-(4-oxo-3-phenethyl-pteridin-2-yl)sulfanyl-acetamide CAS Name: N-(4-bromophenyl)-2-[(4-oxo-3-phenethyl-2-pteridinyl)thio]acetamide IUPAC Name: N-(4-bromophenyl)-2-(4-oxo-3-phenethylpteridin-2-yl)sulfanylacetamide Traditional Name: N-(4-bromophenyl)-2-[(4-keto-3-phenethyl-pteridin-2-yl)thio]acetamide Formula: C22H18BrN5O2S MolecularWeight: 496.37962

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=O)C3=NC=CN=C3N=C2SCC(=O)NC4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=O)C3=NC=CN=C3N=C2SCC(=O)NC4=CC=C(C=C4)Br

InChI

InChI=1S/C22H18BrN5O2S/c23-16-6-8-17(9-7-16)26-18(29)14-31-22-27-20-19(24-11-12-25-20)21(30)28(22)13-10-15-4-2-1-3-5-15/h1-9,11-12H,10,13-14H2,(H,26,29)