N-(3,5-dimethylphenyl)-2-(4-oxidanylidene-3-phenethyl-pteridin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(3,5-dimethylphenyl)-2-(4-oxidanylidene-3-phenethyl-pteridin-2-yl)sulfanyl-ethanamide Openeye Name: N-(3,5-dimethylphenyl)-2-(4-oxo-3-phenethyl-pteridin-2-yl)sulfanyl-acetamide CAS Name: N-(3,5-dimethylphenyl)-2-[(4-oxo-3-phenethyl-2-pteridinyl)thio]acetamide IUPAC Name: N-(3,5-dimethylphenyl)-2-(4-oxo-3-phenethylpteridin-2-yl)sulfanylacetamide Traditional Name: N-(3,5-dimethylphenyl)-2-[(4-keto-3-phenethyl-pteridin-2-yl)thio]acetamide Formula: C24H23N5O2S MolecularWeight: 445.53672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23N5O2S/c1-16-12-17(2)14-19(13-16)27-20(30)15-32-24-28-22-21(25-9-10-26-22)23(31)29(24)11-8-18-6-4-3-5-7-18/h3-7,9-10,12-14H,8,11,15H2,1-2H3,(H,27,30)