8-(1,3-BENZOTHIAZOL-2-YLSULFANYL)-7-[(E)-BUT-2-ENYL]-3-METHYLPURINE-2,6-DIONE

CAS号
CCD编号
CCD08095501
分子式
C17 H15 N5 O2 S2
分子量
385.47

基本信息

产品名称: 8-(1,3-BENZOTHIAZOL-2-YLSULFANYL)-7-[(E)-BUT-2-ENYL]-3-METHYLPURINE-2,6-DIONE
英文同义词: 8-(1,3-BENZOTHIAZOL-2-YLSULFANYL)-7-[(E)-BUT-2-ENYL]-3-METHYLPURINE-2,6-DIONE
MDL号: MFCD01815894
氢键受体数量: 7
氢键供体数量: 1
Smile: C/C=C/Cn1c2c(=O)[nH]c(=O)n(c2nc1Sc3nc4ccccc4s3)C
InChi: InChI=1S/C17H15N5O2S2/c1-3-4-9-22-12-13(21(2)15(24)20-14(12)23)19-16(22)26-17-18-10-7-5-6-8-11(10)25-17/h3-8H,9H2,1-2H3,(H,20,23,24)/b4-3+
InChiKey: InChIKey=QPCRLRGYDDFLLH-ONEGZZNKSA-N

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