5-(6-oxidanylidene-3,7-dihydropurin-9-ium-9-yl)pentyl N-(4-methyl-1-oxidanylidene-pentan-2-yl)carbamate

Systemtic Name: 5-(6-oxidanylidene-3,7-dihydropurin-9-ium-9-yl)pentyl N-(4-methyl-1-oxidanylidene-pentan-2-yl)carbamate Openeye Name: 5-(6-oxo-3,7-dihydropurin-9-ium-9-yl)pentyl N-(1-formyl-3-methyl-butyl)carbamate CAS Name: N-(4-methyl-1-oxopentan-2-yl)carbamic 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 N-(4-methyl-1-oxopentan-2-yl)carbamate Traditional Name: N-(1-formyl-3-methyl-butyl)carbamic acid 5-(6-keto-3,7-dihydropurin-9-ium-9-yl)pentyl ester Formula: C17H26N5O4+ MolecularWeight: 364.41944

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C=O)NC(=O)OCCCCC[N+]1=CNC2=C1NC=NC2=O

Isomeric SMILES

CC(C)CC(C=O)NC(=O)OCCCCC[N+]1=CNC2=C1NC=NC2=O

InChI

InChI=1S/C17H25N5O4/c1-12(2)8-13(9-23)21-17(25)26-7-5-3-4-6-22-11-20-14-15(22)18-10-19-16(14)24/h9-13H,3-8H2,1-2H3,(H2,18,19,21,24,25)/p+1