1-[2-[4-[(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)methyl]phenyl]ethyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-[4-[(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)methyl]phenyl]ethyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-[4-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]phenyl]ethyl]piperidine-4-carboxylic acid CAS Name: 1-[2-[4-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]phenyl]ethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-[4-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]phenyl]ethyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-[4-[(6-amino-2-butoxy-8-keto-7H-purin-9-yl)methyl]phenyl]ethyl]isonipecotic acid Formula: C24H32N6O4 MolecularWeight: 468.54868

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=C(C=C3)CCN4CCC(CC4)C(=O)O

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=C(C=C3)CCN4CCC(CC4)C(=O)O

InChI

InChI=1S/C24H32N6O4/c1-2-3-14-34-23-27-20(25)19-21(28-23)30(24(33)26-19)15-17-6-4-16(5-7-17)8-11-29-12-9-18(10-13-29)22(31)32/h4-7,18H,2-3,8-15H2,1H3,(H,26,33)(H,31,32)(H2,25,27,28)