methyl 3-[6-azanyl-9-(phenylmethyl)purin-2-yl]propanoate

Systemtic Name: methyl 3-[6-azanyl-9-(phenylmethyl)purin-2-yl]propanoate Openeye Name: methyl 3-(6-amino-9-benzyl-purin-2-yl)propanoate CAS Name: 3-[6-amino-9-(phenylmethyl)-2-purinyl]propanoic acid methyl ester IUPAC Name: methyl 3-(6-amino-9-benzylpurin-2-yl)propanoate Traditional Name: 3-(6-amino-9-benzyl-purin-2-yl)propionic acid methyl ester Formula: C16H17N5O2 MolecularWeight: 311.33848

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=NC2=C(C(=N1)N)N=CN2CC3=CC=CC=C3

Isomeric SMILES

COC(=O)CCC1=NC2=C(C(=N1)N)N=CN2CC3=CC=CC=C3

InChI

InChI=1S/C16H17N5O2/c1-23-13(22)8-7-12-19-15(17)14-16(20-12)21(10-18-14)9-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H2,17,19,20)