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

Systemtic Name: methyl 3-[4-[2-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)ethyl]piperidin-1-yl]propanoate Openeye Name: methyl 3-[4-[2-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)ethyl]-1-piperidyl]propanoate CAS Name: 3-[4-[2-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)ethyl]-1-piperidinyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[2-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)ethyl]piperidin-1-yl]propanoate Traditional Name: 3-[4-[2-(6-amino-2-butoxy-8-keto-7H-purin-9-yl)ethyl]piperidino]propionic 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)N2CCC3CCN(CC3)CCC(=O)OC

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCC3CCN(CC3)CCC(=O)OC

InChI

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