2-[[2-azanyl-6-(4-chlorophenyl)sulfanyl-7H-purin-8-yl]methoxy]ethyl ethanoate

Systemtic Name: 2-[[2-azanyl-6-(4-chlorophenyl)sulfanyl-7H-purin-8-yl]methoxy]ethyl ethanoate Openeye Name: 2-[[2-amino-6-(4-chlorophenyl)sulfanyl-7H-purin-8-yl]methoxy]ethyl acetate CAS Name: acetic acid 2-[[2-amino-6-[(4-chlorophenyl)thio]-7H-purin-8-yl]methoxy]ethyl ester IUPAC Name: 2-[[2-amino-6-(4-chlorophenyl)sulfanyl-7H-purin-8-yl]methoxy]ethyl acetate Traditional Name: acetic acid 2-[[2-amino-6-[(4-chlorophenyl)thio]-7H-purin-8-yl]methoxy]ethyl ester Formula: C16H16ClN5O3S MolecularWeight: 393.84794

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCOCC1=NC2=C(N1)C(=NC(=N2)N)SC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(=O)OCCOCC1=NC2=C(N1)C(=NC(=N2)N)SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H16ClN5O3S/c1-9(23)25-7-6-24-8-12-19-13-14(20-12)21-16(18)22-15(13)26-11-4-2-10(17)3-5-11/h2-5H,6-8H2,1H3,(H3,18,19,20,21,22)