3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl 4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]butanoate

Systemtic Name: 3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl 4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]butanoate Openeye Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl 4-(1,3-dimethyl-2,6-dioxo-purin-7-yl)butanoate CAS Name: 4-(1,3-dimethyl-2,6-dioxo-7-purinyl)butanoic acid 3-(2-oxo-3H-benzimidazol-1-yl)propyl ester IUPAC Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl 4-(1,3-dimethyl-2,6-dioxopurin-7-yl)butanoate Traditional Name: 4-(2,6-diketo-1,3-dimethyl-purin-7-yl)butyric acid 3-(2-keto-3H-benzimidazol-1-yl)propyl ester Formula: C21H24N6O5 MolecularWeight: 440.45246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCC(=O)OCCCN3C4=CC=CC=C4NC3=O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCC(=O)OCCCN3C4=CC=CC=C4NC3=O

InChI

InChI=1S/C21H24N6O5/c1-24-18-17(19(29)25(2)21(24)31)26(13-22-18)10-5-9-16(28)32-12-6-11-27-15-8-4-3-7-14(15)23-20(27)30/h3-4,7-8,13H,5-6,9-12H2,1-2H3,(H,23,30)