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

Systemtic Name: 2-(hydroxymethyl)-5-[6-[(phenylmethyl)amino]-8-thiophen-2-yl-purin-9-yl]oxolane-3,4-diol Openeye Name: 2-[6-(benzylamino)-8-(2-thienyl)purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: 2-(hydroxymethyl)-5-[6-[(phenylmethyl)amino]-8-thiophen-2-yl-9-purinyl]oxolane-3,4-diol IUPAC Name: 2-[6-(benzylamino)-8-thiophen-2-ylpurin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: 2-[6-(benzylamino)-8-(2-thienyl)purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C21H21N5O4S MolecularWeight: 439.48754

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NC=NC3=C2N=C(N3C4C(C(C(O4)CO)O)O)C5=CC=CS5

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NC=NC3=C2N=C(N3C4C(C(C(O4)CO)O)O)C5=CC=CS5

InChI

InChI=1S/C21H21N5O4S/c27-10-13-16(28)17(29)21(30-13)26-19(14-7-4-8-31-14)25-15-18(23-11-24-20(15)26)22-9-12-5-2-1-3-6-12/h1-8,11,13,16-17,21,27-29H,9-10H2,(H,22,23,24)