N-[9-[(3aR,4R,6R,6aR)-6-[(E)-methoxyiminomethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]purin-6-yl]benzamide

Systemtic Name: N-[9-[(3aR,4R,6R,6aR)-6-[(E)-methoxyiminomethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]purin-6-yl]benzamide Openeye Name: N-[9-[(3aR,4R,6R,6aR)-6-[(E)-methoxyiminomethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]purin-6-yl]benzamide CAS Name: N-[9-[(3aR,4R,6R,6aR)-6-[(E)-methoxyiminomethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-6-purinyl]benzamide IUPAC Name: N-[9-[(3aR,4R,6R,6aR)-6-[(E)-methoxyiminomethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]purin-6-yl]benzamide Traditional Name: N-[9-[(3aR,4R,6R,6aR)-2,2-dimethyl-6-[(E)-methyloximinomethyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]purin-6-yl]benzamide Formula: C21H22N6O5 MolecularWeight: 438.43658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(OC2C(OC(C2O1)N3C=NC4=C3N=CN=C4NC(=O)C5=CC=CC=C5)C=NOC)C

Isomeric SMILES

CC1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)N3C=NC4=C3N=CN=C4NC(=O)C5=CC=CC=C5)/C=N/OC)C

InChI

InChI=1S/C21H22N6O5/c1-21(2)31-15-13(9-25-29-3)30-20(16(15)32-21)27-11-24-14-17(22-10-23-18(14)27)26-19(28)12-7-5-4-6-8-12/h4-11,13,15-16,20H,1-3H3,(H,22,23,26,28)/b25-9+/t13-,15-,16-,20-/m1/s1