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

Systemtic Name: 3-[6-azanyl-8-[4-(diethylamino)phenyl]sulfanyl-purin-9-yl]propyl ethanoate Openeye Name: 3-[6-amino-8-[4-(diethylamino)phenyl]sulfanyl-purin-9-yl]propyl acetate CAS Name: acetic acid 3-[6-amino-8-[[4-(diethylamino)phenyl]thio]-9-purinyl]propyl ester IUPAC Name: 3-[6-amino-8-[4-(diethylamino)phenyl]sulfanylpurin-9-yl]propyl acetate Traditional Name: acetic acid 3-[6-amino-8-[[4-(diethylamino)phenyl]thio]purin-9-yl]propyl ester Formula: C20H26N6O2S MolecularWeight: 414.52444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N6O2S/c1-4-25(5-2)15-7-9-16(10-8-15)29-20-24-17-18(21)22-13-23-19(17)26(20)11-6-12-28-14(3)27/h7-10,13H,4-6,11-12H2,1-3H3,(H2,21,22,23)