2-(hydroxymethyl)-5-[6-[(2-methylphenyl)methylamino]-8-thiophen-2-yl-purin-9-yl]oxolane-3,4-diol

Systemtic Name: 2-(hydroxymethyl)-5-[6-[(2-methylphenyl)methylamino]-8-thiophen-2-yl-purin-9-yl]oxolane-3,4-diol Openeye Name: 2-(hydroxymethyl)-5-[6-(o-tolylmethylamino)-8-(2-thienyl)purin-9-yl]tetrahydrofuran-3,4-diol CAS Name: 2-(hydroxymethyl)-5-[6-[(2-methylphenyl)methylamino]-8-thiophen-2-yl-9-purinyl]oxolane-3,4-diol IUPAC Name: 2-(hydroxymethyl)-5-[6-[(2-methylphenyl)methylamino]-8-thiophen-2-ylpurin-9-yl]oxolane-3,4-diol Traditional Name: 2-[6-[(2-methylbenzyl)amino]-8-(2-thienyl)purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C22H23N5O4S MolecularWeight: 453.51412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC2=NC=NC3=C2N=C(N3C4C(C(C(O4)CO)O)O)C5=CC=CS5

Isomeric SMILES

CC1=CC=CC=C1CNC2=NC=NC3=C2N=C(N3C4C(C(C(O4)CO)O)O)C5=CC=CS5

InChI

InChI=1S/C22H23N5O4S/c1-12-5-2-3-6-13(12)9-23-19-16-21(25-11-24-19)27(20(26-16)15-7-4-8-32-15)22-18(30)17(29)14(10-28)31-22/h2-8,11,14,17-18,22,28-30H,9-10H2,1H3,(H,23,24,25)