2-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxidanylidene-pteridin-2-yl]sulfanyl-N-(2,4,6-trimethylphenyl)ethanamide

Systemtic Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxidanylidene-pteridin-2-yl]sulfanyl-N-(2,4,6-trimethylphenyl)ethanamide Openeye Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-pteridin-2-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide CAS Name: 2-[[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-pteridinyl]thio]-N-(2,4,6-trimethylphenyl)acetamide IUPAC Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxopteridin-2-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide Traditional Name: 2-[(4-keto-3-piperonyl-pteridin-2-yl)thio]-N-mesityl-acetamide Formula: C25H23N5O4S MolecularWeight: 489.54622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H23N5O4S/c1-14-8-15(2)21(16(3)9-14)28-20(31)12-35-25-29-23-22(26-6-7-27-23)24(32)30(25)11-17-4-5-18-19(10-17)34-13-33-18/h4-10H,11-13H2,1-3H3,(H,28,31)