methyl 2-[6-azanyl-9-(phenylmethyl)purin-2-yl]oxyethanoate

Systemtic Name: methyl 2-[6-azanyl-9-(phenylmethyl)purin-2-yl]oxyethanoate Openeye Name: methyl 2-(6-amino-9-benzyl-purin-2-yl)oxyacetate CAS Name: 2-[[6-amino-9-(phenylmethyl)-2-purinyl]oxy]acetic acid methyl ester IUPAC Name: methyl 2-(6-amino-9-benzylpurin-2-yl)oxyacetate Traditional Name: 2-(6-amino-9-benzyl-purin-2-yl)oxyacetic acid methyl ester Formula: C15H15N5O3 MolecularWeight: 313.3113

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)COC1=NC2=C(C(=N1)N)N=CN2CC3=CC=CC=C3

Isomeric SMILES

COC(=O)COC1=NC2=C(C(=N1)N)N=CN2CC3=CC=CC=C3

InChI

InChI=1S/C15H15N5O3/c1-22-11(21)8-23-15-18-13(16)12-14(19-15)20(9-17-12)7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H2,16,18,19)