2-[[2-azanyl-6-(4-chlorophenyl)sulfanyl-purin-9-yl]methoxy]ethyl ethanoate

Systemtic Name: 2-[[2-azanyl-6-(4-chlorophenyl)sulfanyl-purin-9-yl]methoxy]ethyl ethanoate Openeye Name: 2-[[2-amino-6-(4-chlorophenyl)sulfanyl-purin-9-yl]methoxy]ethyl acetate CAS Name: acetic acid 2-[[2-amino-6-[(4-chlorophenyl)thio]-9-purinyl]methoxy]ethyl ester IUPAC Name: 2-[[2-amino-6-(4-chlorophenyl)sulfanylpurin-9-yl]methoxy]ethyl acetate Traditional Name: acetic acid 2-[[2-amino-6-[(4-chlorophenyl)thio]purin-9-yl]methoxy]ethyl ester Formula: C16H16ClN5O3S MolecularWeight: 393.84794

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCOCN1C=NC2=C1N=C(N=C2SC3=CC=C(C=C3)Cl)N

Isomeric SMILES

CC(=O)OCCOCN1C=NC2=C1N=C(N=C2SC3=CC=C(C=C3)Cl)N

InChI

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