tert-butyl (3aR,4R,6S,6aS)-4-[deuterio(oxidanyl)methyl]-6-(4-methoxy-5H-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-(4-methoxy-5H-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-(4-methoxy-5H-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-(4-methoxy-5H-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 IUPAC Name: tert-butyl (3aR,4R,6S,6aS)-4-[deuterio(hydroxy)methyl]-6-(4-methoxy-5H-pyrrolo[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-5H-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: C20H28N4O6 MolecularWeight: 421.465682

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC2C(N(C(C2O1)C3=CNC4=C3N=CN=C4OC)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=CNC4=C3N=CN=C4OC)OC(O2)(C)C)O

InChI

InChI=1S/C20H28N4O6/c1-19(2,3)30-18(26)24-11(8-25)15-16(29-20(4,5)28-15)14(24)10-7-21-13-12(10)22-9-23-17(13)27-6/h7,9,11,14-16,21,25H,8H2,1-6H3/t11-,14+,15-,16+/m1/s1/i8D/t8?,11-,14+,15-,16+