tert-butyl (3aR,4R,6S,6aS)-4-[deuterio(oxidanyl)methyl]-6-[5-(hydroxymethyl)-4-methoxy-pyrrolo[3,2-d]pyrimidin-7-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate

Systemtic Name: tert-butyl (3aR,4R,6S,6aS)-4-[deuterio(oxidanyl)methyl]-6-[5-(hydroxymethyl)-4-methoxy-pyrrolo[3,2-d]pyrimidin-7-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate Openeye Name: tert-butyl (3aR,4R,6S,6aS)-4-[deuterio(hydroxy)methyl]-6-[5-(hydroxymethyl)-4-methoxy-pyrrolo[3,2-d]pyrimidin-7-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate CAS Name: (3aR,4R,6S,6aS)-4-[deuterio(hydroxy)methyl]-6-[5-(hydroxymethyl)-4-methoxy-7-pyrrolo[3,2-d]pyrimidinyl]-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3aR,4R,6S,6aS)-4-[deuterio(hydroxy)methyl]-6-[5-(hydroxymethyl)-4-methoxypyrrolo[3,2-d]pyrimidin-7-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate Traditional Name: (3aR,4R,6S,6aS)-4-[deuterio(hydroxy)methyl]-6-(4-methoxy-5-methylol-pyrrolo[3,2-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylic acid tert-butyl ester Formula: C21H30N4O7 MolecularWeight: 451.491662

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC2C(N(C(C2O1)C3=CN(C4=C3N=CN=C4OC)CO)C(=O)OC(C)(C)C)CO)C

Isomeric SMILES

[2H]C([C@@H]1[C@@H]2[C@H]([C@@H](N1C(=O)OC(C)(C)C)C3=CN(C4=C3N=CN=C4OC)CO)OC(O2)(C)C)O

InChI

InChI=1S/C21H30N4O7/c1-20(2,3)32-19(28)25-12(8-26)16-17(31-21(4,5)30-16)14(25)11-7-24(10-27)15-13(11)22-9-23-18(15)29-6/h7,9,12,14,16-17,26-27H,8,10H2,1-6H3/t12-,14+,16-,17+/m1/s1/i8D/t8?,12-,14+,16-,17+