2-(hydroxymethyl)-5-[6-(1-phenylpropan-2-ylamino)-2-phenylsulfanyl-purin-9-yl]oxolane-3,4-diol

Systemtic Name: 2-(hydroxymethyl)-5-[6-(1-phenylpropan-2-ylamino)-2-phenylsulfanyl-purin-9-yl]oxolane-3,4-diol Openeye Name: 2-(hydroxymethyl)-5-[6-[(1-methyl-2-phenyl-ethyl)amino]-2-phenylsulfanyl-purin-9-yl]tetrahydrofuran-3,4-diol CAS Name: 2-(hydroxymethyl)-5-[6-(1-phenylpropan-2-ylamino)-2-(phenylthio)-9-purinyl]oxolane-3,4-diol IUPAC Name: 2-(hydroxymethyl)-5-[6-(1-phenylpropan-2-ylamino)-2-phenylsulfanylpurin-9-yl]oxolane-3,4-diol Traditional Name: 2-methylol-5-[6-[(1-methyl-2-phenyl-ethyl)amino]-2-(phenylthio)purin-9-yl]tetrahydrofuran-3,4-diol Formula: C25H27N5O4S MolecularWeight: 493.57798

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1)NC2=NC(=NC3=C2N=CN3C4C(C(C(O4)CO)O)O)SC5=CC=CC=C5

Isomeric SMILES

CC(CC1=CC=CC=C1)NC2=NC(=NC3=C2N=CN3C4C(C(C(O4)CO)O)O)SC5=CC=CC=C5

InChI

InChI=1S/C25H27N5O4S/c1-15(12-16-8-4-2-5-9-16)27-22-19-23(29-25(28-22)35-17-10-6-3-7-11-17)30(14-26-19)24-21(33)20(32)18(13-31)34-24/h2-11,14-15,18,20-21,24,31-33H,12-13H2,1H3,(H,27,28,29)