2-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxidanylidene-pteridin-2-yl]sulfanyl-N-(3,5-dimethylphenyl)ethanamide

Systemtic Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxidanylidene-pteridin-2-yl]sulfanyl-N-(3,5-dimethylphenyl)ethanamide Openeye Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-pteridin-2-yl]sulfanyl-N-(3,5-dimethylphenyl)acetamide CAS Name: 2-[[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-pteridinyl]thio]-N-(3,5-dimethylphenyl)acetamide IUPAC Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxopteridin-2-yl]sulfanyl-N-(3,5-dimethylphenyl)acetamide Traditional Name: N-(3,5-dimethylphenyl)-2-[(4-keto-3-piperonyl-pteridin-2-yl)thio]acetamide Formula: C24H21N5O4S MolecularWeight: 475.51964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)CSC2=NC3=NC=CN=C3C(=O)N2CC4=CC5=C(C=C4)OCO5)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)CSC2=NC3=NC=CN=C3C(=O)N2CC4=CC5=C(C=C4)OCO5)C

InChI

InChI=1S/C24H21N5O4S/c1-14-7-15(2)9-17(8-14)27-20(30)12-34-24-28-22-21(25-5-6-26-22)23(31)29(24)11-16-3-4-18-19(10-16)33-13-32-18/h3-10H,11-13H2,1-2H3,(H,27,30)