3-[6-azanyl-8-(4-methylphenyl)sulfanyl-purin-9-yl]propyl ethanoate

Systemtic Name: 3-[6-azanyl-8-(4-methylphenyl)sulfanyl-purin-9-yl]propyl ethanoate Openeye Name: 3-[6-amino-8-(p-tolylsulfanyl)purin-9-yl]propyl acetate CAS Name: acetic acid 3-[6-amino-8-[(4-methylphenyl)thio]-9-purinyl]propyl ester IUPAC Name: 3-[6-amino-8-(4-methylphenyl)sulfanylpurin-9-yl]propyl acetate Traditional Name: acetic acid 3-[6-amino-8-(p-tolylthio)purin-9-yl]propyl ester Formula: C17H19N5O2S MolecularWeight: 357.43006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NC3=C(N2CCCOC(=O)C)N=CN=C3N

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NC3=C(N2CCCOC(=O)C)N=CN=C3N

InChI

InChI=1S/C17H19N5O2S/c1-11-4-6-13(7-5-11)25-17-21-14-15(18)19-10-20-16(14)22(17)8-3-9-24-12(2)23/h4-7,10H,3,8-9H2,1-2H3,(H2,18,19,20)