3-[4-(7H-purin-6-yl)piperazin-1-yl]propanoic acid

Systemtic Name: 3-[4-(7H-purin-6-yl)piperazin-1-yl]propanoic acid Openeye Name: 3-[4-(7H-purin-6-yl)piperazin-1-yl]propanoic acid CAS Name: 3-[4-(7H-purin-6-yl)-1-piperazinyl]propanoic acid IUPAC Name: 3-[4-(7H-purin-6-yl)piperazin-1-yl]propanoic acid Traditional Name: 3-[4-(7H-purin-6-yl)piperazino]propionic acid Formula: C12H16N6O2 MolecularWeight: 276.29444

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)O)C2=NC=NC3=C2NC=N3

Isomeric SMILES

C1CN(CCN1CCC(=O)O)C2=NC=NC3=C2NC=N3

InChI

InChI=1S/C12H16N6O2/c19-9(20)1-2-17-3-5-18(6-4-17)12-10-11(14-7-13-10)15-8-16-12/h7-8H,1-6H2,(H,19,20)(H,13,14,15,16)