2-[3-[(2-chlorophenyl)methyl]-4-oxidanylidene-pteridin-2-yl]sulfanyl-N-(3,5-dimethylphenyl)ethanamide

Systemtic Name: 2-[3-[(2-chlorophenyl)methyl]-4-oxidanylidene-pteridin-2-yl]sulfanyl-N-(3,5-dimethylphenyl)ethanamide Openeye Name: 2-[3-[(2-chlorophenyl)methyl]-4-oxo-pteridin-2-yl]sulfanyl-N-(3,5-dimethylphenyl)acetamide CAS Name: 2-[[3-[(2-chlorophenyl)methyl]-4-oxo-2-pteridinyl]thio]-N-(3,5-dimethylphenyl)acetamide IUPAC Name: 2-[3-[(2-chlorophenyl)methyl]-4-oxopteridin-2-yl]sulfanyl-N-(3,5-dimethylphenyl)acetamide Traditional Name: 2-[[3-(2-chlorobenzyl)-4-keto-pteridin-2-yl]thio]-N-(3,5-dimethylphenyl)acetamide Formula: C23H20ClN5O2S MolecularWeight: 465.9552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20ClN5O2S/c1-14-9-15(2)11-17(10-14)27-19(30)13-32-23-28-21-20(25-7-8-26-21)22(31)29(23)12-16-5-3-4-6-18(16)24/h3-11H,12-13H2,1-2H3,(H,27,30)