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

Systemtic Name: 9-[(2R,4S,5R)-5-ethynyl-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]purine-2,6-diamine Openeye Name: 9-[(2R,4S,5R)-4-benzyloxy-5-(benzyloxymethyl)-5-ethynyl-tetrahydrofuran-2-yl]purine-2,6-diamine CAS Name: 9-[(2R,4S,5R)-5-ethynyl-4-phenylmethoxy-5-(phenylmethoxymethyl)-2-oxolanyl]purine-2,6-diamine IUPAC Name: 9-[(2R,4S,5R)-5-ethynyl-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]purine-2,6-diamine Traditional Name: [2-amino-9-[(2R,4S,5R)-4-benzoxy-5-(benzoxymethyl)-5-ethynyl-tetrahydrofuran-2-yl]purin-6-yl]amine Formula: C26H26N6O3 MolecularWeight: 470.52304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26N6O3/c1-2-26(16-33-14-18-9-5-3-6-10-18)20(34-15-19-11-7-4-8-12-19)13-21(35-26)32-17-29-22-23(27)30-25(28)31-24(22)32/h1,3-12,17,20-21H,13-16H2,(H4,27,28,30,31)/t20-,21+,26+/m0/s1