methyl 2,4-bis(oxidanylidene)-3-[6-oxidanylidene-6-(pyridin-2-ylmethylamino)hexyl]-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 2,4-bis(oxidanylidene)-3-[6-oxidanylidene-6-(pyridin-2-ylmethylamino)hexyl]-1H-quinazoline-7-carboxylate Openeye Name: methyl 2,4-dioxo-3-[6-oxo-6-(2-pyridylmethylamino)hexyl]-1H-quinazoline-7-carboxylate CAS Name: 2,4-dioxo-3-[6-oxo-6-(2-pyridinylmethylamino)hexyl]-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2,4-dioxo-3-[6-oxo-6-(pyridin-2-ylmethylamino)hexyl]-1H-quinazoline-7-carboxylate Traditional Name: 2,4-diketo-3-[6-keto-6-(2-pyridylmethylamino)hexyl]-1H-quinazoline-7-carboxylic acid methyl ester Formula: C22H24N4O5 MolecularWeight: 424.44976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=O)N2)CCCCCC(=O)NCC3=CC=CC=N3

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=O)N2)CCCCCC(=O)NCC3=CC=CC=N3

InChI

InChI=1S/C22H24N4O5/c1-31-21(29)15-9-10-17-18(13-15)25-22(30)26(20(17)28)12-6-2-3-8-19(27)24-14-16-7-4-5-11-23-16/h4-5,7,9-11,13H,2-3,6,8,12,14H2,1H3,(H,24,27)(H,25,30)