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

Systemtic Name: 2-[3-[(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)methyl]piperidin-1-yl]ethanoic acid Openeye Name: 2-[3-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]-1-piperidyl]acetic acid CAS Name: 2-[3-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]-1-piperidinyl]acetic acid IUPAC Name: 2-[3-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]piperidin-1-yl]acetic acid Traditional Name: 2-[3-[(6-amino-2-butoxy-8-keto-7H-purin-9-yl)methyl]piperidino]acetic acid Formula: C17H26N6O4 MolecularWeight: 378.42614

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3CCCN(C3)CC(=O)O

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3CCCN(C3)CC(=O)O

InChI

InChI=1S/C17H26N6O4/c1-2-3-7-27-16-20-14(18)13-15(21-16)23(17(26)19-13)9-11-5-4-6-22(8-11)10-12(24)25/h11H,2-10H2,1H3,(H,19,26)(H,24,25)(H2,18,20,21)