C#C[C@@]1(O)[C@H](OC(=O)c2ccc(C)cc2)[C@@H](COC(=O)c2ccc(C)cc2)O[C@H]1n1ccc2c(Cl)ncnc21

이름: (2R,3R,4R,5R)-2-(4-Chloro-pyrrolo[2,3-d]pyrimidin-7-yl)-4-(4-methylbenzoyloxy)-5-(4-methylbenzoyloxymethyl)-3-ethynyl-tetrahydro-furan-3-ol

IUPAC: [(2R,3R,4R,5R)-5-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-4-ethynyl-4-hydroxy-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate

SMILES: C#C[C@@]1(O)[C@H](OC(=O)c2ccc(C)cc2)[C@@H](COC(=O)c2ccc(C)cc2)O[C@H]1n1ccc2c(Cl)ncnc21

Canonical SMILES: CC1=CC=C(C=C1)C(=O)OCC2C(C(C(O2)N3C=CC4=C3N=CN=C4Cl)(C#C)O)OC(=O)C5=CC=C(C=C5)C

분자식: C29H24ClN3O6

분자량: 546.00

InChIKey: QYQHMMYGSFALBX-JQDNXDNNSA-N

InChI:

InChI=1S/C29H24ClN3O6/c1-4-29(36)23(39-27(35)20-11-7-18(3)8-12-20)22(15-37-26(34)19-9-5-17(2)6-10-19)38-28(29)33-14-13-21-24(30)31-16-32-25(21)33/h1,5-14,16,22-23,28,36H,15H2,2-3H3/t22-,23-,28-,29-/m1/s1

PubChem CID: 86642245 →

동의어

SCHEMBL3084452QYQHMMYGSFALBX-JQDNXDNNSA-N(2R,3R,4R,5R)-2-(4-Chloro-pyrrolo[2,3-d]pyrimidin-7-yl)-4-(4-methylbenzoyloxy)-5-(4-methylbenzoyloxymethyl)-3-ethynyl-tetrahydro-furan-3-ol

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