methyl 2-[1-[5-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)pentyl]piperidin-3-yl]ethanoate

Systemtic Name: methyl 2-[1-[5-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)pentyl]piperidin-3-yl]ethanoate Openeye Name: methyl 2-[1-[5-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)pentyl]-3-piperidyl]acetate CAS Name: 2-[1-[5-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)pentyl]-3-piperidinyl]acetic acid methyl ester IUPAC Name: methyl 2-[1-[5-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)pentyl]piperidin-3-yl]acetate Traditional Name: 2-[1-[5-(6-amino-2-butoxy-8-keto-7H-purin-9-yl)pentyl]-3-piperidyl]acetic acid methyl ester Formula: C22H36N6O4 MolecularWeight: 448.55904

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCCCCN3CCCC(C3)CC(=O)OC

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCCCCN3CCCC(C3)CC(=O)OC

InChI

InChI=1S/C22H36N6O4/c1-3-4-13-32-21-25-19(23)18-20(26-21)28(22(30)24-18)12-7-5-6-10-27-11-8-9-16(15-27)14-17(29)31-2/h16H,3-15H2,1-2H3,(H,24,30)(H2,23,25,26)