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

Systemtic Name: N-(3,5-dimethylphenyl)-2-[4-oxidanylidene-3-(phenylmethyl)pteridin-2-yl]sulfanyl-ethanamide Openeye Name: 2-(3-benzyl-4-oxo-pteridin-2-yl)sulfanyl-N-(3,5-dimethylphenyl)acetamide CAS Name: N-(3,5-dimethylphenyl)-2-[[4-oxo-3-(phenylmethyl)-2-pteridinyl]thio]acetamide IUPAC Name: 2-(3-benzyl-4-oxopteridin-2-yl)sulfanyl-N-(3,5-dimethylphenyl)acetamide Traditional Name: 2-[(3-benzyl-4-keto-pteridin-2-yl)thio]-N-(3,5-dimethylphenyl)acetamide Formula: C23H21N5O2S MolecularWeight: 431.51014

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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=C4)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)CSC2=NC3=NC=CN=C3C(=O)N2CC4=CC=CC=C4)C

InChI

InChI=1S/C23H21N5O2S/c1-15-10-16(2)12-18(11-15)26-19(29)14-31-23-27-21-20(24-8-9-25-21)22(30)28(23)13-17-6-4-3-5-7-17/h3-12H,13-14H2,1-2H3,(H,26,29)