methyl 5-[(6-azanylpurin-1-yl)methyl]-2-methoxy-benzoate

Systemtic Name: methyl 5-[(6-azanylpurin-1-yl)methyl]-2-methoxy-benzoate Openeye Name: methyl 5-[(6-aminopurin-1-yl)methyl]-2-methoxy-benzoate CAS Name: 5-[(6-amino-1-purinyl)methyl]-2-methoxybenzoic acid methyl ester IUPAC Name: methyl 5-[(6-aminopurin-1-yl)methyl]-2-methoxybenzoate Traditional Name: 5-[(6-aminopurin-1-yl)methyl]-2-methoxy-benzoic acid methyl ester Formula: C15H15N5O3 MolecularWeight: 313.3113

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2C=NC3=NC=NC3=C2N)C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN2C=NC3=NC=NC3=C2N)C(=O)OC

InChI

InChI=1S/C15H15N5O3/c1-22-11-4-3-9(5-10(11)15(21)23-2)6-20-8-19-14-12(13(20)16)17-7-18-14/h3-5,7-8H,6,16H2,1-2H3