N-(4-ethylphenyl)-2-[4-oxidanylidene-3-(phenylmethyl)pteridin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(4-ethylphenyl)-2-[4-oxidanylidene-3-(phenylmethyl)pteridin-2-yl]sulfanyl-ethanamide Openeye Name: 2-(3-benzyl-4-oxo-pteridin-2-yl)sulfanyl-N-(4-ethylphenyl)acetamide CAS Name: N-(4-ethylphenyl)-2-[[4-oxo-3-(phenylmethyl)-2-pteridinyl]thio]acetamide IUPAC Name: 2-(3-benzyl-4-oxopteridin-2-yl)sulfanyl-N-(4-ethylphenyl)acetamide Traditional Name: 2-[(3-benzyl-4-keto-pteridin-2-yl)thio]-N-(4-ethylphenyl)acetamide Formula: C23H21N5O2S MolecularWeight: 431.51014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21N5O2S/c1-2-16-8-10-18(11-9-16)26-19(29)15-31-23-27-21-20(24-12-13-25-21)22(30)28(23)14-17-6-4-3-5-7-17/h3-13H,2,14-15H2,1H3,(H,26,29)