2-[(6-azanyl-7H-purin-8-yl)methylamino]-3-(1H-imidazol-5-yl)propanoic acid

Systemtic Name: 2-[(6-azanyl-7H-purin-8-yl)methylamino]-3-(1H-imidazol-5-yl)propanoic acid Openeye Name: 2-[(6-amino-7H-purin-8-yl)methylamino]-3-(1H-imidazol-5-yl)propanoic acid CAS Name: 2-[(6-amino-7H-purin-8-yl)methylamino]-3-(1H-imidazol-5-yl)propanoic acid IUPAC Name: 2-[(6-amino-7H-purin-8-yl)methylamino]-3-(1H-imidazol-5-yl)propanoic acid Traditional Name: 2-[(6-amino-7H-purin-8-yl)methylamino]-3-(1H-imidazol-5-yl)propionic acid Formula: C12H14N8O2 MolecularWeight: 302.29196

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(NC=N1)CC(C(=O)O)NCC2=NC3=C(N2)C(=NC=N3)N

Isomeric SMILES

C1=C(NC=N1)CC(C(=O)O)NCC2=NC3=C(N2)C(=NC=N3)N

InChI

InChI=1S/C12H14N8O2/c13-10-9-11(18-5-17-10)20-8(19-9)3-15-7(12(21)22)1-6-2-14-4-16-6/h2,4-5,7,15H,1,3H2,(H,14,16)(H,21,22)(H3,13,17,18,19,20)