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

Systemtic Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxidanylidene-pteridin-2-yl]sulfanyl-N-(4-methoxyphenyl)ethanamide Openeye Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-pteridin-2-yl]sulfanyl-N-(4-methoxyphenyl)acetamide CAS Name: 2-[[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-pteridinyl]thio]-N-(4-methoxyphenyl)acetamide IUPAC Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxopteridin-2-yl]sulfanyl-N-(4-methoxyphenyl)acetamide Traditional Name: 2-[(4-keto-3-piperonyl-pteridin-2-yl)thio]-N-(4-methoxyphenyl)acetamide Formula: C23H19N5O5S MolecularWeight: 477.49246

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)CSC2=NC3=NC=CN=C3C(=O)N2CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)CSC2=NC3=NC=CN=C3C(=O)N2CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H19N5O5S/c1-31-16-5-3-15(4-6-16)26-19(29)12-34-23-27-21-20(24-8-9-25-21)22(30)28(23)11-14-2-7-17-18(10-14)33-13-32-17/h2-10H,11-13H2,1H3,(H,26,29)