[2-[(6-aminopurin-9-yl)methyl]cyclopropyl]methyl benzoate

Systemtic Name: [2-[(6-aminopurin-9-yl)methyl]cyclopropyl]methyl benzoate Openeye Name: [2-[(6-aminopurin-9-yl)methyl]cyclopropyl]methyl benzoate CAS Name: benzoic acid [2-[(6-aminopurin-9-yl)methyl]cyclopropyl]methyl ester IUPAC Name: [2-[(6-aminopurin-9-yl)methyl]cyclopropyl]methyl benzoate Traditional Name: benzoic acid [2-(adenin-9-ylmethyl)cyclopropyl]methyl ester Formula: C17H17N5O2 MolecularWeight: 323.34918

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C1COC(=O)C2=CC=CC=C2)CN3C=NC4=C3N=CN=C4N

Isomeric SMILES

C1C(C1COC(=O)C2=CC=CC=C2)CN3C=NC4=C3N=CN=C4N

InChI

InChI=1S/C17H17N5O2/c18-15-14-16(20-9-19-15)22(10-21-14)7-12-6-13(12)8-24-17(23)11-4-2-1-3-5-11/h1-5,9-10,12-13H,6-8H2,(H2,18,19,20)