9-[(2R,4S,5R)-5-ethynyl-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]purin-6-amine

Systemtic Name: 9-[(2R,4S,5R)-5-ethynyl-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]purin-6-amine Openeye Name: 9-[(2R,4S,5R)-4-benzyloxy-5-(benzyloxymethyl)-5-ethynyl-tetrahydrofuran-2-yl]purin-6-amine CAS Name: 9-[(2R,4S,5R)-5-ethynyl-4-phenylmethoxy-5-(phenylmethoxymethyl)-2-oxolanyl]-6-purinamine IUPAC Name: 9-[(2R,4S,5R)-5-ethynyl-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]purin-6-amine Traditional Name: [9-[(2R,4S,5R)-4-benzoxy-5-(benzoxymethyl)-5-ethynyl-tetrahydrofuran-2-yl]purin-6-yl]amine Formula: C26H25N5O3 MolecularWeight: 455.5084

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1(C(CC(O1)N2C=NC3=C2N=CN=C3N)OCC4=CC=CC=C4)COCC5=CC=CC=C5

Isomeric SMILES

C#C[C@]1([C@H](C[C@@H](O1)N2C=NC3=C2N=CN=C3N)OCC4=CC=CC=C4)COCC5=CC=CC=C5

InChI

InChI=1S/C26H25N5O3/c1-2-26(16-32-14-19-9-5-3-6-10-19)21(33-15-20-11-7-4-8-12-20)13-22(34-26)31-18-30-23-24(27)28-17-29-25(23)31/h1,3-12,17-18,21-22H,13-16H2,(H2,27,28,29)/t21-,22+,26+/m0/s1