3-[acetyloxy-[2-[[(4-methoxyphenyl)-diphenyl-methyl]amino]sulfanylpurin-9-yl]methoxy]propyl ethanoate

Systemtic Name: 3-[acetyloxy-[2-[[(4-methoxyphenyl)-diphenyl-methyl]amino]sulfanylpurin-9-yl]methoxy]propyl ethanoate Openeye Name: 3-[acetoxy-[2-[[(4-methoxyphenyl)-diphenyl-methyl]amino]sulfanylpurin-9-yl]methoxy]propyl acetate CAS Name: acetic acid 3-[acetyloxy-[2-[[[(4-methoxyphenyl)-diphenylmethyl]amino]thio]-9-purinyl]methoxy]propyl ester IUPAC Name: 3-[acetyloxy-[2-[[(4-methoxyphenyl)-diphenylmethyl]amino]sulfanylpurin-9-yl]methoxy]propyl acetate Traditional Name: acetic acid 3-[acetoxy-[2-[[[(4-methoxyphenyl)-diphenyl-methyl]amino]thio]purin-9-yl]methoxy]propyl ester Formula: C33H33N5O6S MolecularWeight: 627.71002

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCCOC(N1C=NC2=CN=C(N=C21)SNC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=C(C=C5)OC)OC(=O)C

Isomeric SMILES

CC(=O)OCCCOC(N1C=NC2=CN=C(N=C21)SNC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=C(C=C5)OC)OC(=O)C

InChI

InChI=1S/C33H33N5O6S/c1-23(39)42-19-10-20-43-32(44-24(2)40)38-22-35-29-21-34-31(36-30(29)38)45-37-33(25-11-6-4-7-12-25,26-13-8-5-9-14-26)27-15-17-28(41-3)18-16-27/h4-9,11-18,21-22,32,37H,10,19-20H2,1-3H3