(3-chlorophenyl) 3-(7H-purin-6-ylamino)propanoate

Systemtic Name: (3-chlorophenyl) 3-(7H-purin-6-ylamino)propanoate Openeye Name: (3-chlorophenyl) 3-(7H-purin-6-ylamino)propanoate CAS Name: 3-(7H-purin-6-ylamino)propanoic acid (3-chlorophenyl) ester IUPAC Name: (3-chlorophenyl) 3-(7H-purin-6-ylamino)propanoate Traditional Name: 3-(7H-purin-6-ylamino)propionic acid (3-chlorophenyl) ester Formula: C14H12ClN5O2 MolecularWeight: 317.73038

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)OC(=O)CCNC2=NC=NC3=C2NC=N3

Isomeric SMILES

C1=CC(=CC(=C1)Cl)OC(=O)CCNC2=NC=NC3=C2NC=N3

InChI

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