2-[6-(2,2-diphenylethylamino)-2-phenylsulfanyl-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

Systemtic Name: 2-[6-(2,2-diphenylethylamino)-2-phenylsulfanyl-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Openeye Name: 2-[6-(2,2-diphenylethylamino)-2-phenylsulfanyl-purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: 2-[6-(2,2-diphenylethylamino)-2-(phenylthio)-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol IUPAC Name: 2-[6-(2,2-diphenylethylamino)-2-phenylsulfanylpurin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: 2-[6-(2,2-diphenylethylamino)-2-(phenylthio)purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C30H29N5O4S MolecularWeight: 555.64736

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CNC2=NC(=NC3=C2N=CN3C4C(C(C(O4)CO)O)O)SC5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)C(CNC2=NC(=NC3=C2N=CN3C4C(C(C(O4)CO)O)O)SC5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C30H29N5O4S/c36-17-23-25(37)26(38)29(39-23)35-18-32-24-27(33-30(34-28(24)35)40-21-14-8-3-9-15-21)31-16-22(19-10-4-1-5-11-19)20-12-6-2-7-13-20/h1-15,18,22-23,25-26,29,36-38H,16-17H2,(H,31,33,34)