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

Systemtic Name: (3aR,4R,6S,6aS)-4-[6-[(4-azanyl-3-iodanyl-phenyl)methylamino]purin-9-yl]-N,2,2-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxamide Openeye Name: (3aR,4R,6S,6aS)-4-[6-[(4-amino-3-iodo-phenyl)methylamino]purin-9-yl]-N,2,2-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxamide CAS Name: (3aR,4R,6S,6aS)-4-[6-[(4-amino-3-iodophenyl)methylamino]-9-purinyl]-N,2,2-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxamide IUPAC Name: (3aR,4R,6S,6aS)-4-[6-[(4-amino-3-iodophenyl)methylamino]purin-9-yl]-N,2,2-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxamide Traditional Name: (3aR,4R,6S,6aS)-4-[6-[(4-amino-3-iodo-benzyl)amino]purin-9-yl]-N,2,2-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxamide Formula: C21H24IN7O4 MolecularWeight: 565.36423

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC2C(O1)C(OC2C(=O)NC)N3C=NC4=C3N=CN=C4NCC5=CC(=C(C=C5)N)I)C

Isomeric SMILES

CC1(O[C@H]2[C@@H](O1)[C@@H](O[C@@H]2C(=O)NC)N3C=NC4=C3N=CN=C4NCC5=CC(=C(C=C5)N)I)C

InChI

InChI=1S/C21H24IN7O4/c1-21(2)32-14-15(19(30)24-3)31-20(16(14)33-21)29-9-28-13-17(26-8-27-18(13)29)25-7-10-4-5-12(23)11(22)6-10/h4-6,8-9,14-16,20H,7,23H2,1-3H3,(H,24,30)(H,25,26,27)/t14-,15+,16-,20-/m1/s1