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

Systemtic Name: 3-[1-[2-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)ethyl]piperidin-4-yl]propanoic acid Openeye Name: 3-[1-[2-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)ethyl]-4-piperidyl]propanoic acid CAS Name: 3-[1-[2-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)ethyl]-4-piperidinyl]propanoic acid IUPAC Name: 3-[1-[2-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)ethyl]piperidin-4-yl]propanoic acid Traditional Name: 3-[1-[2-(6-amino-2-butoxy-8-keto-7H-purin-9-yl)ethyl]-4-piperidyl]propionic acid Formula: C19H30N6O4 MolecularWeight: 406.4793

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCN3CCC(CC3)CCC(=O)O

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCN3CCC(CC3)CCC(=O)O

InChI

InChI=1S/C19H30N6O4/c1-2-3-12-29-18-22-16(20)15-17(23-18)25(19(28)21-15)11-10-24-8-6-13(7-9-24)4-5-14(26)27/h13H,2-12H2,1H3,(H,21,28)(H,26,27)(H2,20,22,23)