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

Systemtic Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxidanylidene-pteridin-2-yl]sulfanyl-N-(4-ethylphenyl)ethanamide Openeye Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-pteridin-2-yl]sulfanyl-N-(4-ethylphenyl)acetamide CAS Name: 2-[[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-pteridinyl]thio]-N-(4-ethylphenyl)acetamide IUPAC Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxopteridin-2-yl]sulfanyl-N-(4-ethylphenyl)acetamide Traditional Name: N-(4-ethylphenyl)-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:

CCC1=CC=C(C=C1)NC(=O)CSC2=NC3=NC=CN=C3C(=O)N2CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)CSC2=NC3=NC=CN=C3C(=O)N2CC4=CC5=C(C=C4)OCO5

InChI

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