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

Systemtic Name: 2-[2-chloranyl-6-(1-phenylsulfanylpropan-2-ylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Openeye Name: 2-[2-chloro-6-[(1-methyl-2-phenylsulfanyl-ethyl)amino]purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: 2-[2-chloro-6-[1-(phenylthio)propan-2-ylamino]-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol IUPAC Name: 2-[2-chloro-6-(1-phenylsulfanylpropan-2-ylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: 2-[2-chloro-6-[[1-methyl-2-(phenylthio)ethyl]amino]purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C19H22ClN5O4S MolecularWeight: 451.92708

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC1=CC=CC=C1)NC2=NC(=NC3=C2N=CN3C4C(C(C(O4)CO)O)O)Cl

Isomeric SMILES

CC(CSC1=CC=CC=C1)NC2=NC(=NC3=C2N=CN3C4C(C(C(O4)CO)O)O)Cl

InChI

InChI=1S/C19H22ClN5O4S/c1-10(8-30-11-5-3-2-4-6-11)22-16-13-17(24-19(20)23-16)25(9-21-13)18-15(28)14(27)12(7-26)29-18/h2-6,9-10,12,14-15,18,26-28H,7-8H2,1H3,(H,22,23,24)