2-[3-[(4-chlorophenyl)methyl]-4-oxidanylidene-pteridin-2-yl]sulfanyl-N-phenethyl-ethanamide

Systemtic Name: 2-[3-[(4-chlorophenyl)methyl]-4-oxidanylidene-pteridin-2-yl]sulfanyl-N-phenethyl-ethanamide Openeye Name: 2-[3-[(4-chlorophenyl)methyl]-4-oxo-pteridin-2-yl]sulfanyl-N-phenethyl-acetamide CAS Name: 2-[[3-[(4-chlorophenyl)methyl]-4-oxo-2-pteridinyl]thio]-N-phenethylacetamide IUPAC Name: 2-[3-[(4-chlorophenyl)methyl]-4-oxopteridin-2-yl]sulfanyl-N-phenethylacetamide Traditional Name: 2-[[3-(4-chlorobenzyl)-4-keto-pteridin-2-yl]thio]-N-phenethyl-acetamide Formula: C23H20ClN5O2S MolecularWeight: 465.9552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)CSC2=NC3=NC=CN=C3C(=O)N2CC4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)CSC2=NC3=NC=CN=C3C(=O)N2CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H20ClN5O2S/c24-18-8-6-17(7-9-18)14-29-22(31)20-21(27-13-12-26-20)28-23(29)32-15-19(30)25-11-10-16-4-2-1-3-5-16/h1-9,12-13H,10-11,14-15H2,(H,25,30)