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

Systemtic Name: 2-[2-[(2-azanyl-6-chloranyl-purin-9-yl)methoxy]ethoxy]ethyl benzoate Openeye Name: 2-[2-[(2-amino-6-chloro-purin-9-yl)methoxy]ethoxy]ethyl benzoate CAS Name: benzoic acid 2-[2-[(2-amino-6-chloro-9-purinyl)methoxy]ethoxy]ethyl ester IUPAC Name: 2-[2-[(2-amino-6-chloropurin-9-yl)methoxy]ethoxy]ethyl benzoate Traditional Name: benzoic acid 2-[2-[(2-amino-6-chloro-purin-9-yl)methoxy]ethoxy]ethyl ester Formula: C17H18ClN5O4 MolecularWeight: 391.80892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCCOCCOCN2C=NC3=C2N=C(N=C3Cl)N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCCOCCOCN2C=NC3=C2N=C(N=C3Cl)N

InChI

InChI=1S/C17H18ClN5O4/c18-14-13-15(22-17(19)21-14)23(10-20-13)11-26-7-6-25-8-9-27-16(24)12-4-2-1-3-5-12/h1-5,10H,6-9,11H2,(H2,19,21,22)