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

Systemtic Name: methyl 2-[1-[3-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)propyl]piperidin-4-yl]ethanoate Openeye Name: methyl 2-[1-[3-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)propyl]-4-piperidyl]acetate CAS Name: 2-[1-[3-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)propyl]-4-piperidinyl]acetic acid methyl ester IUPAC Name: methyl 2-[1-[3-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)propyl]piperidin-4-yl]acetate Traditional Name: 2-[1-[3-(6-amino-2-butoxy-8-keto-7H-purin-9-yl)propyl]-4-piperidyl]acetic acid methyl ester Formula: C20H32N6O4 MolecularWeight: 420.50588

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCCN3CCC(CC3)CC(=O)OC

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCCN3CCC(CC3)CC(=O)OC

InChI

InChI=1S/C20H32N6O4/c1-3-4-12-30-19-23-17(21)16-18(24-19)26(20(28)22-16)9-5-8-25-10-6-14(7-11-25)13-15(27)29-2/h14H,3-13H2,1-2H3,(H,22,28)(H2,21,23,24)