2-[[2,6-bis(azanyl)purin-9-yl]methoxy]ethyl benzoate

Systemtic Name: 2-[[2,6-bis(azanyl)purin-9-yl]methoxy]ethyl benzoate Openeye Name: 2-[(2,6-diaminopurin-9-yl)methoxy]ethyl benzoate CAS Name: benzoic acid 2-[(2,6-diamino-9-purinyl)methoxy]ethyl ester IUPAC Name: 2-[(2,6-diaminopurin-9-yl)methoxy]ethyl benzoate Traditional Name: benzoic acid 2-[(2,6-diaminopurin-9-yl)methoxy]ethyl ester Formula: C15H16N6O3 MolecularWeight: 328.32594

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCCOCN2C=NC3=C2N=C(N=C3N)N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCCOCN2C=NC3=C2N=C(N=C3N)N

InChI

InChI=1S/C15H16N6O3/c16-12-11-13(20-15(17)19-12)21(8-18-11)9-23-6-7-24-14(22)10-4-2-1-3-5-10/h1-5,8H,6-7,9H2,(H4,16,17,19,20)