4-(6-chloranyl-2-phenylsulfanyl-purin-9-yl)butyl ethanoate

Systemtic Name: 4-(6-chloranyl-2-phenylsulfanyl-purin-9-yl)butyl ethanoate Openeye Name: 4-(6-chloro-2-phenylsulfanyl-purin-9-yl)butyl acetate CAS Name: acetic acid 4-[6-chloro-2-(phenylthio)-9-purinyl]butyl ester IUPAC Name: 4-(6-chloro-2-phenylsulfanylpurin-9-yl)butyl acetate Traditional Name: acetic acid 4-[6-chloro-2-(phenylthio)purin-9-yl]butyl ester Formula: C17H17ClN4O2S MolecularWeight: 376.86048

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCCCN1C=NC2=C1N=C(N=C2Cl)SC3=CC=CC=C3

Isomeric SMILES

CC(=O)OCCCCN1C=NC2=C1N=C(N=C2Cl)SC3=CC=CC=C3

InChI

InChI=1S/C17H17ClN4O2S/c1-12(23)24-10-6-5-9-22-11-19-14-15(18)20-17(21-16(14)22)25-13-7-3-2-4-8-13/h2-4,7-8,11H,5-6,9-10H2,1H3