methyl 4-[(6-aminopurin-9-yl)methyl]benzoate

Systemtic Name: methyl 4-[(6-aminopurin-9-yl)methyl]benzoate Openeye Name: methyl 4-[(6-aminopurin-9-yl)methyl]benzoate CAS Name: 4-[(6-aminopurin-9-yl)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(6-aminopurin-9-yl)methyl]benzoate Traditional Name: 4-(adenin-9-ylmethyl)benzoic acid methyl ester Formula: C14H13N5O2 MolecularWeight: 283.28532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2C=NC3=C2N=CN=C3N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2C=NC3=C2N=CN=C3N

InChI

InChI=1S/C14H13N5O2/c1-21-14(20)10-4-2-9(3-5-10)6-19-8-18-11-12(15)16-7-17-13(11)19/h2-5,7-8H,6H2,1H3,(H2,15,16,17)