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

Systemtic Name: (3aR,4R,6S,6aS)-4-[2-iodanyl-6-(methylamino)purin-9-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxylic acid Openeye Name: (3aR,4R,6S,6aS)-4-[2-iodo-6-(methylamino)purin-9-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxylic acid CAS Name: (3aR,4R,6S,6aS)-4-[2-iodo-6-(methylamino)-9-purinyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxylic acid IUPAC Name: (3aR,4R,6S,6aS)-4-[2-iodo-6-(methylamino)purin-9-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxylic acid Traditional Name: (3aR,4R,6S,6aS)-4-[2-iodo-6-(methylamino)purin-9-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxylic acid Formula: C14H16IN5O5 MolecularWeight: 461.21181

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC2C(O1)C(OC2C(=O)O)N3C=NC4=C3N=C(N=C4NC)I)C

Isomeric SMILES

CC1(O[C@H]2[C@@H](O1)[C@@H](O[C@@H]2C(=O)O)N3C=NC4=C3N=C(N=C4NC)I)C

InChI

InChI=1S/C14H16IN5O5/c1-14(2)24-6-7(25-14)11(23-8(6)12(21)22)20-4-17-5-9(16-3)18-13(15)19-10(5)20/h4,6-8,11H,1-3H3,(H,21,22)(H,16,18,19)/t6-,7+,8-,11+/m0/s1