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

Systemtic Name: methyl 3-[4-[4-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)butyl]piperazin-1-yl]propanoate Openeye Name: methyl 3-[4-[4-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)butyl]piperazin-1-yl]propanoate CAS Name: 3-[4-[4-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)butyl]-1-piperazinyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[4-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)butyl]piperazin-1-yl]propanoate Traditional Name: 3-[4-[4-(6-amino-2-butoxy-8-keto-7H-purin-9-yl)butyl]piperazino]propionic acid methyl ester Formula: C21H35N7O4 MolecularWeight: 449.5471

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCCCN3CCN(CC3)CCC(=O)OC

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCCCN3CCN(CC3)CCC(=O)OC

InChI

InChI=1S/C21H35N7O4/c1-3-4-15-32-20-24-18(22)17-19(25-20)28(21(30)23-17)9-6-5-8-26-11-13-27(14-12-26)10-7-16(29)31-2/h3-15H2,1-2H3,(H,23,30)(H2,22,24,25)