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

Systemtic Name: 2-[3-[(4-chlorophenyl)methyl]-4-oxidanylidene-pteridin-2-yl]sulfanyl-N-(4-methoxyphenyl)ethanamide Openeye Name: 2-[3-[(4-chlorophenyl)methyl]-4-oxo-pteridin-2-yl]sulfanyl-N-(4-methoxyphenyl)acetamide CAS Name: 2-[[3-[(4-chlorophenyl)methyl]-4-oxo-2-pteridinyl]thio]-N-(4-methoxyphenyl)acetamide IUPAC Name: 2-[3-[(4-chlorophenyl)methyl]-4-oxopteridin-2-yl]sulfanyl-N-(4-methoxyphenyl)acetamide Traditional Name: 2-[[3-(4-chlorobenzyl)-4-keto-pteridin-2-yl]thio]-N-(4-methoxyphenyl)acetamide Formula: C22H18ClN5O3S MolecularWeight: 467.92802

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)CSC2=NC3=NC=CN=C3C(=O)N2CC4=CC=C(C=C4)Cl

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)CSC2=NC3=NC=CN=C3C(=O)N2CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H18ClN5O3S/c1-31-17-8-6-16(7-9-17)26-18(29)13-32-22-27-20-19(24-10-11-25-20)21(30)28(22)12-14-2-4-15(23)5-3-14/h2-11H,12-13H2,1H3,(H,26,29)