4-(dimethylamino)butyl 1-[4-[4-[(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)methyl]phenoxy]butyl]piperidine-4-carboxylate

Systemtic Name: 4-(dimethylamino)butyl 1-[4-[4-[(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)methyl]phenoxy]butyl]piperidine-4-carboxylate Openeye Name: 4-(dimethylamino)butyl 1-[4-[4-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]phenoxy]butyl]piperidine-4-carboxylate CAS Name: 1-[4-[4-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]phenoxy]butyl]-4-piperidinecarboxylic acid 4-(dimethylamino)butyl ester IUPAC Name: 4-(dimethylamino)butyl 1-[4-[4-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]phenoxy]butyl]piperidine-4-carboxylate Traditional Name: 1-[4-[4-[(6-amino-2-butoxy-8-keto-7H-purin-9-yl)methyl]phenoxy]butyl]isonipecotic acid 4-(dimethylamino)butyl ester Formula: C32H49N7O5 MolecularWeight: 611.77536

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=C(C=C3)OCCCCN4CCC(CC4)C(=O)OCCCCN(C)C

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=C(C=C3)OCCCCN4CCC(CC4)C(=O)OCCCCN(C)C

InChI

InChI=1S/C32H49N7O5/c1-4-5-20-44-31-35-28(33)27-29(36-31)39(32(41)34-27)23-24-10-12-26(13-11-24)42-21-9-7-17-38-18-14-25(15-19-38)30(40)43-22-8-6-16-37(2)3/h10-13,25H,4-9,14-23H2,1-3H3,(H,34,41)(H2,33,35,36)