ethyl (2E)-2-[[(3aR,4R,6R,6aR)-4-(6-benzamidopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methylidene]-4-(1,3-dioxolan-2-yl)butanoate

Systemtic Name: ethyl (2E)-2-[[(3aR,4R,6R,6aR)-4-(6-benzamidopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methylidene]-4-(1,3-dioxolan-2-yl)butanoate Openeye Name: ethyl (2E)-2-[[(3aR,4R,6R,6aR)-4-(6-benzamidopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methylene]-4-(1,3-dioxolan-2-yl)butanoate CAS Name: (2E)-2-[[(3aR,4R,6R,6aR)-4-(6-benzamido-9-purinyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methylidene]-4-(1,3-dioxolan-2-yl)butanoic acid ethyl ester IUPAC Name: ethyl (2E)-2-[[(3aR,4R,6R,6aR)-4-(6-benzamidopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methylidene]-4-(1,3-dioxolan-2-yl)butanoate Traditional Name: (E)-3-[(3aR,4R,6R,6aR)-4-(6-benzamidopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-[2-(1,3-dioxolan-2-yl)ethyl]acrylic acid ethyl ester Formula: C29H33N5O8 MolecularWeight: 579.60102

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1C2C(C(O1)N3C=NC4=C3N=CN=C4NC(=O)C5=CC=CC=C5)OC(O2)(C)C)CCC6OCCO6

Isomeric SMILES

CCOC(=O)/C(=C/[C@@H]1[C@@H]2[C@H]([C@@H](O1)N3C=NC4=C3N=CN=C4NC(=O)C5=CC=CC=C5)OC(O2)(C)C)/CCC6OCCO6

InChI

InChI=1S/C29H33N5O8/c1-4-37-28(36)18(10-11-20-38-12-13-39-20)14-19-22-23(42-29(2,3)41-22)27(40-19)34-16-32-21-24(30-15-31-25(21)34)33-26(35)17-8-6-5-7-9-17/h5-9,14-16,19-20,22-23,27H,4,10-13H2,1-3H3,(H,30,31,33,35)/b18-14+/t19-,22-,23-,27-/m1/s1