4-(dimethylamino)butyl 2-[4-[3-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)propoxymethyl]piperidin-1-yl]ethanoate

Systemtic Name: 4-(dimethylamino)butyl 2-[4-[3-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)propoxymethyl]piperidin-1-yl]ethanoate Openeye Name: 4-(dimethylamino)butyl 2-[4-[3-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)propoxymethyl]-1-piperidyl]acetate CAS Name: 2-[4-[3-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)propoxymethyl]-1-piperidinyl]acetic acid 4-(dimethylamino)butyl ester IUPAC Name: 4-(dimethylamino)butyl 2-[4-[3-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)propoxymethyl]piperidin-1-yl]acetate Traditional Name: 2-[4-[3-(6-amino-2-butoxy-8-keto-7H-purin-9-yl)propoxymethyl]piperidino]acetic acid 4-(dimethylamino)butyl ester Formula: C26H45N7O5 MolecularWeight: 535.6794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCCOCC3CCN(CC3)CC(=O)OCCCCN(C)C

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCCOCC3CCN(CC3)CC(=O)OCCCCN(C)C

InChI

InChI=1S/C26H45N7O5/c1-4-5-16-38-25-29-23(27)22-24(30-25)33(26(35)28-22)12-8-15-36-19-20-9-13-32(14-10-20)18-21(34)37-17-7-6-11-31(2)3/h20H,4-19H2,1-3H3,(H,28,35)(H2,27,29,30)