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

Systemtic Name: methyl 2-[[6-azanyl-9-(phenylmethyl)purin-2-yl]amino]ethanoate Openeye Name: methyl 2-[(6-amino-9-benzyl-purin-2-yl)amino]acetate CAS Name: 2-[[6-amino-9-(phenylmethyl)-2-purinyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[(6-amino-9-benzylpurin-2-yl)amino]acetate Traditional Name: 2-[(6-amino-9-benzyl-purin-2-yl)amino]acetic acid methyl ester Formula: C15H16N6O2 MolecularWeight: 312.32654

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC1=NC2=C(C(=N1)N)N=CN2CC3=CC=CC=C3

Isomeric SMILES

COC(=O)CNC1=NC2=C(C(=N1)N)N=CN2CC3=CC=CC=C3

InChI

InChI=1S/C15H16N6O2/c1-23-11(22)7-17-15-19-13(16)12-14(20-15)21(9-18-12)8-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H3,16,17,19,20)