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

Systemtic Name: 2-[4-oxidanylidene-3-(thiophen-2-ylmethyl)pteridin-2-yl]sulfanyl-N-(2,4,6-trimethylphenyl)ethanamide Openeye Name: 2-[4-oxo-3-(2-thienylmethyl)pteridin-2-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide CAS Name: 2-[[4-oxo-3-(thiophen-2-ylmethyl)-2-pteridinyl]thio]-N-(2,4,6-trimethylphenyl)acetamide IUPAC Name: 2-[4-oxo-3-(thiophen-2-ylmethyl)pteridin-2-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide Traditional Name: 2-[[4-keto-3-(2-thenyl)pteridin-2-yl]thio]-N-mesityl-acetamide Formula: C22H21N5O2S2 MolecularWeight: 451.56444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)CSC2=NC3=NC=CN=C3C(=O)N2CC4=CC=CS4)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)CSC2=NC3=NC=CN=C3C(=O)N2CC4=CC=CS4)C

InChI

InChI=1S/C22H21N5O2S2/c1-13-9-14(2)18(15(3)10-13)25-17(28)12-31-22-26-20-19(23-6-7-24-20)21(29)27(22)11-16-5-4-8-30-16/h4-10H,11-12H2,1-3H3,(H,25,28)