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

Systemtic Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxidanylidene-pteridin-2-yl]sulfanyl-N-(2-ethoxyphenyl)ethanamide Openeye Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-pteridin-2-yl]sulfanyl-N-(2-ethoxyphenyl)acetamide CAS Name: 2-[[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-pteridinyl]thio]-N-(2-ethoxyphenyl)acetamide IUPAC Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxopteridin-2-yl]sulfanyl-N-(2-ethoxyphenyl)acetamide Traditional Name: 2-[(4-keto-3-piperonyl-pteridin-2-yl)thio]-N-o-phenetyl-acetamide Formula: C24H21N5O5S MolecularWeight: 491.51904

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)CSC2=NC3=NC=CN=C3C(=O)N2CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)CSC2=NC3=NC=CN=C3C(=O)N2CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H21N5O5S/c1-2-32-17-6-4-3-5-16(17)27-20(30)13-35-24-28-22-21(25-9-10-26-22)23(31)29(24)12-15-7-8-18-19(11-15)34-14-33-18/h3-11H,2,12-14H2,1H3,(H,27,30)