[(1R)-1-[(3aR,6R,6aS)-6-(6-benzamidopurin-9-yl)-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]prop-2-ynyl] (2S)-3,3,3-tris(fluoranyl)-2-methoxy-2-phenyl-propanoate

Systemtic Name: [(1R)-1-[(3aR,6R,6aS)-6-(6-benzamidopurin-9-yl)-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]prop-2-ynyl] (2S)-3,3,3-tris(fluoranyl)-2-methoxy-2-phenyl-propanoate Openeye Name: [(1R)-1-[(3aR,6R,6aS)-6-(6-benzamidopurin-9-yl)-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]prop-2-ynyl] (2S)-3,3,3-trifluoro-2-methoxy-2-phenyl-propanoate CAS Name: (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid [(1R)-1-[(3aR,6R,6aS)-6-(6-benzamido-9-purinyl)-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]prop-2-ynyl] ester IUPAC Name: [(1R)-1-[(3aR,6R,6aS)-6-(6-benzamidopurin-9-yl)-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]prop-2-ynyl] (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate Traditional Name: (2S)-3,3,3-trifluoro-2-methoxy-2-phenyl-propionic acid [(1R)-1-[(3aR,6R,6aS)-6-(6-benzamidopurin-9-yl)-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]prop-2-ynyl] ester Formula: C33H28F3N5O6 MolecularWeight: 647.60053

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC2C(C=C(C2O1)C(C#C)OC(=O)C(C3=CC=CC=C3)(C(F)(F)F)OC)N4C=NC5=C4N=CN=C5NC(=O)C6=CC=CC=C6)C

Isomeric SMILES

CC1(O[C@H]2[C@@H](C=C([C@H]2O1)[C@@H](C#C)OC(=O)[C@@](C3=CC=CC=C3)(C(F)(F)F)OC)N4C=NC5=C4N=CN=C5NC(=O)C6=CC=CC=C6)C

InChI

InChI=1S/C33H28F3N5O6/c1-5-23(45-30(43)32(44-4,33(34,35)36)20-14-10-7-11-15-20)21-16-22(26-25(21)46-31(2,3)47-26)41-18-39-24-27(37-17-38-28(24)41)40-29(42)19-12-8-6-9-13-19/h1,6-18,22-23,25-26H,2-4H3,(H,37,38,40,42)/t22-,23-,25-,26+,32+/m1/s1