2-[(8-azanyl-6-chloranyl-purin-9-yl)methoxy]ethyl benzoate

Systemtic Name: 2-[(8-azanyl-6-chloranyl-purin-9-yl)methoxy]ethyl benzoate Openeye Name: 2-[(8-amino-6-chloro-purin-9-yl)methoxy]ethyl benzoate CAS Name: benzoic acid 2-[(8-amino-6-chloro-9-purinyl)methoxy]ethyl ester IUPAC Name: 2-[(8-amino-6-chloropurin-9-yl)methoxy]ethyl benzoate Traditional Name: benzoic acid 2-[(8-amino-6-chloro-purin-9-yl)methoxy]ethyl ester Formula: C15H14ClN5O3 MolecularWeight: 347.75636

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCCOCN2C3=C(C(=NC=N3)Cl)N=C2N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCCOCN2C3=C(C(=NC=N3)Cl)N=C2N

InChI

InChI=1S/C15H14ClN5O3/c16-12-11-13(19-8-18-12)21(15(17)20-11)9-23-6-7-24-14(22)10-4-2-1-3-5-10/h1-5,8H,6-7,9H2,(H2,17,20)