2-[3-[(6-azanyl-2-chloranyl-purin-9-yl)methyl]phenyl]ethanoic acid

Systemtic Name: 2-[3-[(6-azanyl-2-chloranyl-purin-9-yl)methyl]phenyl]ethanoic acid Openeye Name: 2-[3-[(6-amino-2-chloro-purin-9-yl)methyl]phenyl]acetic acid CAS Name: 2-[3-[(6-amino-2-chloro-9-purinyl)methyl]phenyl]acetic acid IUPAC Name: 2-[3-[(6-amino-2-chloropurin-9-yl)methyl]phenyl]acetic acid Traditional Name: 2-[3-[(6-amino-2-chloro-purin-9-yl)methyl]phenyl]acetic acid Formula: C14H12ClN5O2 MolecularWeight: 317.73038

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CN2C=NC3=C2N=C(N=C3N)Cl)CC(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)CN2C=NC3=C2N=C(N=C3N)Cl)CC(=O)O

InChI

InChI=1S/C14H12ClN5O2/c15-14-18-12(16)11-13(19-14)20(7-17-11)6-9-3-1-2-8(4-9)5-10(21)22/h1-4,7H,5-6H2,(H,21,22)(H2,16,18,19)