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

Systemtic Name: (3aR,4R,6S,6aS)-N-ethyl-4-[2-iodanyl-6-(methylamino)purin-9-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxamide Openeye Name: (3aR,4R,6S,6aS)-N-ethyl-4-[2-iodo-6-(methylamino)purin-9-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxamide CAS Name: (3aR,4R,6S,6aS)-N-ethyl-4-[2-iodo-6-(methylamino)-9-purinyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxamide IUPAC Name: (3aR,4R,6S,6aS)-N-ethyl-4-[2-iodo-6-(methylamino)purin-9-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxamide Traditional Name: (3aR,4R,6S,6aS)-N-ethyl-4-[2-iodo-6-(methylamino)purin-9-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxamide Formula: C16H21IN6O4 MolecularWeight: 488.28021

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1C2C(C(O1)N3C=NC4=C3N=C(N=C4NC)I)OC(O2)(C)C

Isomeric SMILES

CCNC(=O)[C@@H]1[C@@H]2[C@H]([C@@H](O1)N3C=NC4=C3N=C(N=C4NC)I)OC(O2)(C)C

InChI

InChI=1S/C16H21IN6O4/c1-5-19-13(24)9-8-10(27-16(2,3)26-8)14(25-9)23-6-20-7-11(18-4)21-15(17)22-12(7)23/h6,8-10,14H,5H2,1-4H3,(H,19,24)(H,18,21,22)/t8-,9+,10-,14-/m1/s1