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

Systemtic Name: 3-[[2-[[(4-methoxyphenyl)-diphenyl-methyl]amino]sulfanylpurin-9-yl]-oxidanyl-methoxy]propan-1-ol Openeye Name: 3-[hydroxy-[2-[[(4-methoxyphenyl)-diphenyl-methyl]amino]sulfanylpurin-9-yl]methoxy]propan-1-ol CAS Name: 9-[hydroxy(3-hydroxypropoxy)methyl]-N-[(4-methoxyphenyl)-diphenylmethyl]-2-purinesulfenamide IUPAC Name: 3-[hydroxy-[2-[[(4-methoxyphenyl)-diphenylmethyl]amino]sulfanylpurin-9-yl]methoxy]propan-1-ol Traditional Name: 3-[hydroxy-[2-[[[(4-methoxyphenyl)-diphenyl-methyl]amino]thio]purin-9-yl]methoxy]propan-1-ol Formula: C29H29N5O4S MolecularWeight: 543.63666

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NSC4=NC=C5C(=N4)N(C=N5)C(O)OCCCO

Isomeric SMILES

COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NSC4=NC=C5C(=N4)N(C=N5)C(O)OCCCO

InChI

InChI=1S/C29H29N5O4S/c1-37-24-15-13-23(14-16-24)29(21-9-4-2-5-10-21,22-11-6-3-7-12-22)33-39-27-30-19-25-26(32-27)34(20-31-25)28(36)38-18-8-17-35/h2-7,9-16,19-20,28,33,35-36H,8,17-18H2,1H3