methyl 5-[[4-[(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)methyl]piperidin-1-yl]methyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[4-[(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)methyl]piperidin-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]-1-piperidyl]methyl]furan-2-carboxylate CAS Name: 5-[[4-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]-1-piperidinyl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]piperidin-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-[(6-amino-2-butoxy-8-keto-7H-purin-9-yl)methyl]piperidino]methyl]furan-2-carboxylic acid methyl ester Formula: C22H30N6O5 MolecularWeight: 458.5108

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3CCN(CC3)CC4=CC=C(O4)C(=O)OC

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3CCN(CC3)CC4=CC=C(O4)C(=O)OC

InChI

InChI=1S/C22H30N6O5/c1-3-4-11-32-21-25-18(23)17-19(26-21)28(22(30)24-17)12-14-7-9-27(10-8-14)13-15-5-6-16(33-15)20(29)31-2/h5-6,14H,3-4,7-13H2,1-2H3,(H,24,30)(H2,23,25,26)