(3aR,4R,6S,6aS)-4-[6-[2-(5-bromanylfuran-2-yl)carbonylhydrazinyl]purin-9-yl]-N-ethyl-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxamide

Systemtic Name: (3aR,4R,6S,6aS)-4-[6-[2-(5-bromanylfuran-2-yl)carbonylhydrazinyl]purin-9-yl]-N-ethyl-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxamide Openeye Name: (3aR,4R,6S,6aS)-4-[6-[2-(5-bromofuran-2-carbonyl)hydrazino]purin-9-yl]-N-ethyl-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxamide CAS Name: (3aR,4R,6S,6aS)-4-[6-[[(5-bromo-2-furanyl)-oxomethyl]hydrazo]-9-purinyl]-N-ethyl-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxamide IUPAC Name: (3aR,4R,6S,6aS)-4-[6-[2-(5-bromofuran-2-carbonyl)hydrazinyl]purin-9-yl]-N-ethyl-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxamide Traditional Name: (3aR,4R,6S,6aS)-4-[6-[N'-(5-bromo-2-furoyl)hydrazino]purin-9-yl]-N-ethyl-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxamide Formula: C20H22BrN7O6 MolecularWeight: 536.33598

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1C2C(C(O1)N3C=NC4=C3N=CN=C4NNC(=O)C5=CC=C(O5)Br)OC(O2)(C)C

Isomeric SMILES

CCNC(=O)[C@@H]1[C@@H]2[C@H]([C@@H](O1)N3C=NC4=C3N=CN=C4NNC(=O)C5=CC=C(O5)Br)OC(O2)(C)C

InChI

InChI=1S/C20H22BrN7O6/c1-4-22-18(30)13-12-14(34-20(2,3)33-12)19(32-13)28-8-25-11-15(23-7-24-16(11)28)26-27-17(29)9-5-6-10(21)31-9/h5-8,12-14,19H,4H2,1-3H3,(H,22,30)(H,27,29)(H,23,24,26)/t12-,13+,14-,19-/m1/s1