2,2-dimethyl-N-[4-oxidanylidene-6-(3-oxidanylidene-4-phenylmethoxy-but-1-ynyl)-1H-pteridin-2-yl]propanamide

Systemtic Name: 2,2-dimethyl-N-[4-oxidanylidene-6-(3-oxidanylidene-4-phenylmethoxy-but-1-ynyl)-1H-pteridin-2-yl]propanamide Openeye Name: N-[6-(4-benzyloxy-3-oxo-but-1-ynyl)-4-oxo-1H-pteridin-2-yl]-2,2-dimethyl-propanamide CAS Name: 2,2-dimethyl-N-[4-oxo-6-(3-oxo-4-phenylmethoxybut-1-ynyl)-1H-pteridin-2-yl]propanamide IUPAC Name: 2,2-dimethyl-N-[4-oxo-6-(3-oxo-4-phenylmethoxybut-1-ynyl)-1H-pteridin-2-yl]propanamide Traditional Name: N-[6-(4-benzoxy-3-keto-but-1-ynyl)-4-keto-1H-pteridin-2-yl]-2,2-dimethyl-propionamide Formula: C22H21N5O4 MolecularWeight: 419.43324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC1=NC(=O)C2=NC(=CN=C2N1)C#CC(=O)COCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C(=O)NC1=NC(=O)C2=NC(=CN=C2N1)C#CC(=O)COCC3=CC=CC=C3

InChI

InChI=1S/C22H21N5O4/c1-22(2,3)20(30)27-21-25-18-17(19(29)26-21)24-15(11-23-18)9-10-16(28)13-31-12-14-7-5-4-6-8-14/h4-8,11H,12-13H2,1-3H3,(H2,23,25,26,27,29,30)