1-[9-[2-azanyl-3-[(2-methylpropan-2-yl)oxy]-3-oxidanylidene-propyl]purin-6-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[9-[2-azanyl-3-[(2-methylpropan-2-yl)oxy]-3-oxidanylidene-propyl]purin-6-yl]piperidine-4-carboxylic acid Openeye Name: 1-[9-(2-amino-3-tert-butoxy-3-oxo-propyl)purin-6-yl]piperidine-4-carboxylic acid CAS Name: 1-[9-[2-amino-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-6-purinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[9-[2-amino-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]purin-6-yl]piperidine-4-carboxylic acid Traditional Name: 1-[9-(2-amino-3-tert-butoxy-3-keto-propyl)purin-6-yl]isonipecotic acid Formula: C18H26N6O4 MolecularWeight: 390.43684

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CN1C=NC2=C1N=CN=C2N3CCC(CC3)C(=O)O)N

Isomeric SMILES

CC(C)(C)OC(=O)C(CN1C=NC2=C1N=CN=C2N3CCC(CC3)C(=O)O)N

InChI

InChI=1S/C18H26N6O4/c1-18(2,3)28-17(27)12(19)8-24-10-22-13-14(20-9-21-15(13)24)23-6-4-11(5-7-23)16(25)26/h9-12H,4-8,19H2,1-3H3,(H,25,26)