3-phenylpropyl 2-[(6-chloranyl-7H-purin-2-yl)amino]ethanoate

Systemtic Name: 3-phenylpropyl 2-[(6-chloranyl-7H-purin-2-yl)amino]ethanoate Openeye Name: 3-phenylpropyl 2-[(6-chloro-7H-purin-2-yl)amino]acetate CAS Name: 2-[(6-chloro-7H-purin-2-yl)amino]acetic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 2-[(6-chloro-7H-purin-2-yl)amino]acetate Traditional Name: 2-[(6-chloro-7H-purin-2-yl)amino]acetic acid 3-phenylpropyl ester Formula: C16H16ClN5O2 MolecularWeight: 345.78354

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCOC(=O)CNC2=NC3=C(C(=N2)Cl)NC=N3

Isomeric SMILES

C1=CC=C(C=C1)CCCOC(=O)CNC2=NC3=C(C(=N2)Cl)NC=N3

InChI

InChI=1S/C16H16ClN5O2/c17-14-13-15(20-10-19-13)22-16(21-14)18-9-12(23)24-8-4-7-11-5-2-1-3-6-11/h1-3,5-6,10H,4,7-9H2,(H2,18,19,20,21,22)