N-(4-methylphenyl)-2-(4-oxidanylidene-3-phenethyl-pteridin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(4-methylphenyl)-2-(4-oxidanylidene-3-phenethyl-pteridin-2-yl)sulfanyl-ethanamide Openeye Name: 2-(4-oxo-3-phenethyl-pteridin-2-yl)sulfanyl-N-(p-tolyl)acetamide CAS Name: N-(4-methylphenyl)-2-[(4-oxo-3-phenethyl-2-pteridinyl)thio]acetamide IUPAC Name: N-(4-methylphenyl)-2-(4-oxo-3-phenethylpteridin-2-yl)sulfanylacetamide Traditional Name: 2-[(4-keto-3-phenethyl-pteridin-2-yl)thio]-N-(p-tolyl)acetamide Formula: C23H21N5O2S MolecularWeight: 431.51014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSC2=NC3=NC=CN=C3C(=O)N2CCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSC2=NC3=NC=CN=C3C(=O)N2CCC4=CC=CC=C4

InChI

InChI=1S/C23H21N5O2S/c1-16-7-9-18(10-8-16)26-19(29)15-31-23-27-21-20(24-12-13-25-21)22(30)28(23)14-11-17-5-3-2-4-6-17/h2-10,12-13H,11,14-15H2,1H3,(H,26,29)