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

Systemtic Name: 3-[4-[3-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)propyl]piperazin-1-yl]propanoic acid Openeye Name: 3-[4-[3-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)propyl]piperazin-1-yl]propanoic acid CAS Name: 3-[4-[3-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)propyl]-1-piperazinyl]propanoic acid IUPAC Name: 3-[4-[3-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)propyl]piperazin-1-yl]propanoic acid Traditional Name: 3-[4-[3-(6-amino-2-butoxy-8-keto-7H-purin-9-yl)propyl]piperazino]propionic acid Formula: C19H31N7O4 MolecularWeight: 421.49394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H31N7O4/c1-2-3-13-30-18-22-16(20)15-17(23-18)26(19(29)21-15)7-4-6-24-9-11-25(12-10-24)8-5-14(27)28/h2-13H2,1H3,(H,21,29)(H,27,28)(H2,20,22,23)