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名称: (9-{(4S,1R,2R,5R)-4-[(2-fluorophenylthio)methyl]-7,7-dimethyl-3,6,8-trioxabicyclo[3.3.0]oct-2-yl}purin-6-yl)cyclopentylamine

IUPAC: 9-[(3aR,4R,6S,6aR)-6-[(2-fluorophenyl)sulfanylmethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N-cyclopentylpurin-6-amine

SMILES: CC1(C)O[C@@H]2[C@@H](O1)[C@@H](CSc1ccccc1F)O[C@H]2n1cnc2c(NC3CCCC3)ncnc21

Canonical SMILES: CC1(OC2C(OC(C2O1)N3C=NC4=C(N=CN=C43)NC5CCCC5)CSC6=CC=CC=C6F)C

分子式: C24H28FN5O3S

分子量: 485.60

InChIKey: VXGFWCXTHKYBSB-YPHICONVSA-N

InChI: InChI=1S/C24H28FN5O3S/c1-24(2)32-19-16(11-34-17-10-6-5-9-15(17)25)31-23(20(19)33-24)30-13-28-18-21(26-12-27-22(18)30)29-14-7-3-4-8-14/h5-6,9-10,12-14,16,19-20,23H,3-4,7-8,11H2,1-2H3,(H,26,27,29)/t16-,19+,20-,23-/m1/s1

PubChem CID: 67190843 →

同義語

SCHEMBL1863126VXGFWCXTHKYBSB-YPHICONVSA-N(9-{(4S,1R,2R,5R)-4-[(2-fluorophenylthio)methyl]-7,7-dimethyl-3,6,8-trioxabicyclo[3.3.0]oct-2-yl}purin-6-yl)cyclopentylamine

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