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

Systemtic Name: 2-[(2-azanyl-6-chloranyl-purin-9-yl)methylsulfanyl]ethyl benzoate Openeye Name: 2-[(2-amino-6-chloro-purin-9-yl)methylsulfanyl]ethyl benzoate CAS Name: benzoic acid 2-[(2-amino-6-chloro-9-purinyl)methylthio]ethyl ester IUPAC Name: 2-[(2-amino-6-chloropurin-9-yl)methylsulfanyl]ethyl benzoate Traditional Name: benzoic acid 2-[(2-amino-6-chloro-purin-9-yl)methylthio]ethyl ester Formula: C15H14ClN5O2S MolecularWeight: 363.82196

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCCSCN2C=NC3=C2N=C(N=C3Cl)N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCCSCN2C=NC3=C2N=C(N=C3Cl)N

InChI

InChI=1S/C15H14ClN5O2S/c16-12-11-13(20-15(17)19-12)21(8-18-11)9-24-7-6-23-14(22)10-4-2-1-3-5-10/h1-5,8H,6-7,9H2,(H2,17,19,20)