methyl 4-[(2-azanyl-6-phenylmethoxy-purin-9-yl)methyl]benzoate

Systemtic Name: methyl 4-[(2-azanyl-6-phenylmethoxy-purin-9-yl)methyl]benzoate Openeye Name: methyl 4-[(2-amino-6-benzyloxy-purin-9-yl)methyl]benzoate CAS Name: 4-[(2-amino-6-phenylmethoxy-9-purinyl)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(2-amino-6-phenylmethoxypurin-9-yl)methyl]benzoate Traditional Name: 4-[(2-amino-6-benzoxy-purin-9-yl)methyl]benzoic acid methyl ester Formula: C21H19N5O3 MolecularWeight: 389.40726

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2C=NC3=C2N=C(N=C3OCC4=CC=CC=C4)N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2C=NC3=C2N=C(N=C3OCC4=CC=CC=C4)N

InChI

InChI=1S/C21H19N5O3/c1-28-20(27)16-9-7-14(8-10-16)11-26-13-23-17-18(26)24-21(22)25-19(17)29-12-15-5-3-2-4-6-15/h2-10,13H,11-12H2,1H3,(H2,22,24,25)