(2S)-2-azanyl-3-[4-(6-azanyl-7H-purin-8-yl)phenyl]propanoic acid

Systemtic Name: (2S)-2-azanyl-3-[4-(6-azanyl-7H-purin-8-yl)phenyl]propanoic acid Openeye Name: (2S)-2-amino-3-[4-(6-amino-7H-purin-8-yl)phenyl]propanoic acid CAS Name: (2S)-2-amino-3-[4-(6-amino-7H-purin-8-yl)phenyl]propanoic acid IUPAC Name: (2S)-2-amino-3-[4-(6-amino-7H-purin-8-yl)phenyl]propanoic acid Traditional Name: (2S)-2-amino-3-[4-(6-amino-7H-purin-8-yl)phenyl]propionic acid Formula: C14H14N6O2 MolecularWeight: 298.29996

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)O)N)C2=NC3=C(N2)C(=NC=N3)N

Isomeric SMILES

C1=CC(=CC=C1C[C@@H](C(=O)O)N)C2=NC3=C(N2)C(=NC=N3)N

InChI

InChI=1S/C14H14N6O2/c15-9(14(21)22)5-7-1-3-8(4-2-7)12-19-10-11(16)17-6-18-13(10)20-12/h1-4,6,9H,5,15H2,(H,21,22)(H3,16,17,18,19,20)/t9-/m0/s1