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

Systemtic Name: methyl 3-[4-[3-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)propyl]piperazin-1-yl]propanoate Openeye Name: methyl 3-[4-[3-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)propyl]piperazin-1-yl]propanoate CAS Name: 3-[4-[3-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)propyl]-1-piperazinyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[3-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)propyl]piperazin-1-yl]propanoate Traditional Name: 3-[4-[3-(6-amino-2-butoxy-8-keto-7H-purin-9-yl)propyl]piperazino]propionic acid methyl ester Formula: C20H33N7O4 MolecularWeight: 435.52052

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCCN3CCN(CC3)CCC(=O)OC

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCCN3CCN(CC3)CCC(=O)OC

InChI

InChI=1S/C20H33N7O4/c1-3-4-14-31-19-23-17(21)16-18(24-19)27(20(29)22-16)8-5-7-25-10-12-26(13-11-25)9-6-15(28)30-2/h3-14H2,1-2H3,(H,22,29)(H2,21,23,24)