3-[[2-[[(4-methoxyphenyl)-diphenyl-methyl]amino]-6-methylsulfanyl-purin-9-yl]-oxidanyl-methoxy]propan-1-ol

Systemtic Name: 3-[[2-[[(4-methoxyphenyl)-diphenyl-methyl]amino]-6-methylsulfanyl-purin-9-yl]-oxidanyl-methoxy]propan-1-ol Openeye Name: 3-[hydroxy-[2-[[(4-methoxyphenyl)-diphenyl-methyl]amino]-6-methylsulfanyl-purin-9-yl]methoxy]propan-1-ol CAS Name: 3-[hydroxy-[2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-6-(methylthio)-9-purinyl]methoxy]-1-propanol IUPAC Name: 3-[hydroxy-[2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-6-methylsulfanylpurin-9-yl]methoxy]propan-1-ol Traditional Name: 3-[hydroxy-[2-[[(4-methoxyphenyl)-diphenyl-methyl]amino]-6-(methylthio)purin-9-yl]methoxy]propan-1-ol Formula: C30H31N5O4S MolecularWeight: 557.66324

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NC4=NC5=C(C(=N4)SC)N=CN5C(O)OCCCO

Isomeric SMILES

COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NC4=NC5=C(C(=N4)SC)N=CN5C(O)OCCCO

InChI

InChI=1S/C30H31N5O4S/c1-38-24-16-14-23(15-17-24)30(21-10-5-3-6-11-21,22-12-7-4-8-13-22)34-28-32-26-25(27(33-28)40-2)31-20-35(26)29(37)39-19-9-18-36/h3-8,10-17,20,29,36-37H,9,18-19H2,1-2H3,(H,32,33,34)