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

Systemtic Name: (4-chlorophenyl) 3-(7H-purin-6-ylamino)propanoate Openeye Name: (4-chlorophenyl) 3-(7H-purin-6-ylamino)propanoate CAS Name: 3-(7H-purin-6-ylamino)propanoic acid (4-chlorophenyl) ester IUPAC Name: (4-chlorophenyl) 3-(7H-purin-6-ylamino)propanoate Traditional Name: 3-(7H-purin-6-ylamino)propionic acid (4-chlorophenyl) ester Formula: C14H12ClN5O2 MolecularWeight: 317.73038

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OC(=O)CCNC2=NC=NC3=C2NC=N3)Cl

Isomeric SMILES

C1=CC(=CC=C1OC(=O)CCNC2=NC=NC3=C2NC=N3)Cl

InChI

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