9-[(2R,3R,4S,5R)-5-(aziridin-1-ylmethyl)-3,4-dideuteriooxy-oxolan-2-yl]-N,N-dideuterio-purin-6-amine

Systemtic Name: 9-[(2R,3R,4S,5R)-5-(aziridin-1-ylmethyl)-3,4-dideuteriooxy-oxolan-2-yl]-N,N-dideuterio-purin-6-amine Openeye Name: 9-[(2R,3R,4S,5R)-5-(aziridin-1-ylmethyl)-3,4-dideuteriooxy-tetrahydrofuran-2-yl]-N,N-dideuterio-purin-6-amine CAS Name: 9-[(2R,3R,4S,5R)-5-(1-aziridinylmethyl)-3,4-dideuteriooxy-2-oxolanyl]-N,N-dideuterio-6-purinamine IUPAC Name: 9-[(2R,3R,4S,5R)-5-(aziridin-1-ylmethyl)-3,4-dideuteriooxyoxolan-2-yl]-N,N-dideuteriopurin-6-amine Traditional Name: dideuterio-[9-[(2R,3R,4S,5R)-3,4-dideuteriooxy-5-(ethyleniminomethyl)tetrahydrofuran-2-yl]purin-6-yl]amine Formula: C12H16N6O3 MolecularWeight: 296.318487

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Descriptors Computed from Structure

Canonical SMILES:

C1CN1CC2C(C(C(O2)N3C=NC4=C3N=CN=C4N)O)O

Isomeric SMILES

[2H]N([2H])C1=NC=NC2=C1N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CN4CC4)O[2H])O[2H]

InChI

InChI=1S/C12H16N6O3/c13-10-7-11(15-4-14-10)18(5-16-7)12-9(20)8(19)6(21-12)3-17-1-2-17/h4-6,8-9,12,19-20H,1-3H2,(H2,13,14,15)/t6-,8-,9-,12-/m1/s1/i19D,20D/hD2