5-(6-oxidanylidene-3,7-dihydropurin-9-ium-9-yl)pentyl 1H-pyrrole-2-carboxylate

Systemtic Name: 5-(6-oxidanylidene-3,7-dihydropurin-9-ium-9-yl)pentyl 1H-pyrrole-2-carboxylate Openeye Name: 5-(6-oxo-3,7-dihydropurin-9-ium-9-yl)pentyl 1H-pyrrole-2-carboxylate CAS Name: 1H-pyrrole-2-carboxylic acid 5-(6-oxo-3,7-dihydropurin-9-ium-9-yl)pentyl ester IUPAC Name: 5-(6-oxo-3,7-dihydropurin-9-ium-9-yl)pentyl 1H-pyrrole-2-carboxylate Traditional Name: 1H-pyrrole-2-carboxylic acid 5-(6-keto-3,7-dihydropurin-9-ium-9-yl)pentyl ester Formula: C15H18N5O3+ MolecularWeight: 316.33512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CNC(=C1)C(=O)OCCCCC[N+]2=CNC3=C2NC=NC3=O

Isomeric SMILES

C1=CNC(=C1)C(=O)OCCCCC[N+]2=CNC3=C2NC=NC3=O

InChI

InChI=1S/C15H17N5O3/c21-14-12-13(17-9-18-14)20(10-19-12)7-2-1-3-8-23-15(22)11-5-4-6-16-11/h4-6,9-10H,1-3,7-8H2,(H2,16,17,18,21,22)/p+1