3-[acetyloxy-[2-[[(4-methoxyphenyl)-diphenyl-methyl]amino]-6-methylsulfanyl-purin-9-yl]methoxy]propyl ethanoate

Systemtic Name: 3-[acetyloxy-[2-[[(4-methoxyphenyl)-diphenyl-methyl]amino]-6-methylsulfanyl-purin-9-yl]methoxy]propyl ethanoate Openeye Name: 3-[acetoxy-[2-[[(4-methoxyphenyl)-diphenyl-methyl]amino]-6-methylsulfanyl-purin-9-yl]methoxy]propyl acetate CAS Name: acetic acid 3-[acetyloxy-[2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-6-(methylthio)-9-purinyl]methoxy]propyl ester IUPAC Name: 3-[acetyloxy-[2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-6-methylsulfanylpurin-9-yl]methoxy]propyl acetate Traditional Name: acetic acid 3-[acetoxy-[2-[[(4-methoxyphenyl)-diphenyl-methyl]amino]-6-(methylthio)purin-9-yl]methoxy]propyl ester Formula: C34H35N5O6S MolecularWeight: 641.7366

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCCOC(N1C=NC2=C1N=C(N=C2SC)NC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=C(C=C5)OC)OC(=O)C

Isomeric SMILES

CC(=O)OCCCOC(N1C=NC2=C1N=C(N=C2SC)NC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=C(C=C5)OC)OC(=O)C

InChI

InChI=1S/C34H35N5O6S/c1-23(40)43-20-11-21-44-33(45-24(2)41)39-22-35-29-30(39)36-32(37-31(29)46-4)38-34(25-12-7-5-8-13-25,26-14-9-6-10-15-26)27-16-18-28(42-3)19-17-27/h5-10,12-19,22,33H,11,20-21H2,1-4H3,(H,36,37,38)