C=CCn1c(=O)n([C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]2OC(C)=O)c2nc(N)nc(Cl)c21

이름: Compound 41

IUPAC: [(2R,3R,4R,5R)-3,4-diacetyloxy-5-(2-amino-6-chloro-8-oxo-7-prop-2-enylpurin-9-yl)oxolan-2-yl]methyl acetate

SMILES: C=CCn1c(=O)n([C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]2OC(C)=O)c2nc(N)nc(Cl)c21

Canonical SMILES: CC(=O)OCC1C(C(C(O1)N2C3=C(C(=NC(=N3)N)Cl)N(C2=O)CC=C)OC(=O)C)OC(=O)C

분자식: C19H22ClN5O8

분자량: 483.90

InChIKey: FOUUTBBXBSSXEE-LSCFUAHRSA-N

InChI:

InChI=1S/C19H22ClN5O8/c1-5-6-24-12-15(20)22-18(21)23-16(12)25(19(24)29)17-14(32-10(4)28)13(31-9(3)27)11(33-17)7-30-8(2)26/h5,11,13-14,17H,1,6-7H2,2-4H3,(H2,21,22,23)/t11-,13-,14-,17-/m1/s1

PubChem CID: 59598981 →

동의어

SCHEMBL510141FOUUTBBXBSSXEE-LSCFUAHRSA-N7-Allyl-2-amino-6-chloro-9-(2',3',5'-tri-O-acetyl-beta-D-ribofuranosyl)-7,9-dihydro-purin-8-one

확장 검색

부분 구조 검색→유사 구조 검색→