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

Systemtic Name: 2-[3-[(2-chlorophenyl)methyl]-4-oxidanylidene-pteridin-2-yl]sulfanyl-N-phenyl-ethanamide Openeye Name: 2-[3-[(2-chlorophenyl)methyl]-4-oxo-pteridin-2-yl]sulfanyl-N-phenyl-acetamide CAS Name: 2-[[3-[(2-chlorophenyl)methyl]-4-oxo-2-pteridinyl]thio]-N-phenylacetamide IUPAC Name: 2-[3-[(2-chlorophenyl)methyl]-4-oxopteridin-2-yl]sulfanyl-N-phenylacetamide Traditional Name: 2-[[3-(2-chlorobenzyl)-4-keto-pteridin-2-yl]thio]-N-phenyl-acetamide Formula: C21H16ClN5O2S MolecularWeight: 437.90204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16ClN5O2S/c22-16-9-5-4-6-14(16)12-27-20(29)18-19(24-11-10-23-18)26-21(27)30-13-17(28)25-15-7-2-1-3-8-15/h1-11H,12-13H2,(H,25,28)