3-[2-azanyl-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]purin-9-yl]propanoic acid

Systemtic Name: 3-[2-azanyl-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]purin-9-yl]propanoic acid Openeye Name: 3-[2-amino-6-(4-tert-butoxycarbonylpiperazin-1-yl)purin-9-yl]propanoic acid CAS Name: 3-[2-amino-6-[4-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-piperazinyl]-9-purinyl]propanoic acid IUPAC Name: 3-[2-amino-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]purin-9-yl]propanoic acid Traditional Name: 3-[2-amino-6-(4-tert-butoxycarbonylpiperazino)purin-9-yl]propionic acid Formula: C17H25N7O4 MolecularWeight: 391.4249

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=NC(=NC3=C2N=CN3CCC(=O)O)N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=NC(=NC3=C2N=CN3CCC(=O)O)N

InChI

InChI=1S/C17H25N7O4/c1-17(2,3)28-16(27)23-8-6-22(7-9-23)13-12-14(21-15(18)20-13)24(10-19-12)5-4-11(25)26/h10H,4-9H2,1-3H3,(H,25,26)(H2,18,20,21)