2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]ethyl 2,6-bis(azanyl)hexanoate

Systemtic Name: 2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]ethyl 2,6-bis(azanyl)hexanoate Openeye Name: 2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethyl 2,6-diaminohexanoate CAS Name: 2,6-diaminohexanoic acid 2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethyl ester IUPAC Name: 2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethyl 2,6-diaminohexanoate Traditional Name: 2,6-diaminohexanoic acid 2-[(2-amino-6-keto-3H-purin-9-yl)methoxy]ethyl ester Formula: C14H23N7O4 MolecularWeight: 353.37692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1COCCOC(=O)C(CCCCN)N)NC(=NC2=O)N

Isomeric SMILES

C1=NC2=C(N1COCCOC(=O)C(CCCCN)N)NC(=NC2=O)N

InChI

InChI=1S/C14H23N7O4/c15-4-2-1-3-9(16)13(23)25-6-5-24-8-21-7-18-10-11(21)19-14(17)20-12(10)22/h7,9H,1-6,8,15-16H2,(H3,17,19,20,22)