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

Systemtic Name: 2-[3-[(2-chlorophenyl)methyl]-4-oxidanylidene-pteridin-2-yl]sulfanyl-N-(3-methylphenyl)ethanamide Openeye Name: 2-[3-[(2-chlorophenyl)methyl]-4-oxo-pteridin-2-yl]sulfanyl-N-(m-tolyl)acetamide CAS Name: 2-[[3-[(2-chlorophenyl)methyl]-4-oxo-2-pteridinyl]thio]-N-(3-methylphenyl)acetamide IUPAC Name: 2-[3-[(2-chlorophenyl)methyl]-4-oxopteridin-2-yl]sulfanyl-N-(3-methylphenyl)acetamide Traditional Name: 2-[[3-(2-chlorobenzyl)-4-keto-pteridin-2-yl]thio]-N-(m-tolyl)acetamide Formula: C22H18ClN5O2S MolecularWeight: 451.92862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CSC2=NC3=NC=CN=C3C(=O)N2CC4=CC=CC=C4Cl

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CSC2=NC3=NC=CN=C3C(=O)N2CC4=CC=CC=C4Cl

InChI

InChI=1S/C22H18ClN5O2S/c1-14-5-4-7-16(11-14)26-18(29)13-31-22-27-20-19(24-9-10-25-20)21(30)28(22)12-15-6-2-3-8-17(15)23/h2-11H,12-13H2,1H3,(H,26,29)