Chem
J-GLOBAL ID：201807014549691090   Nikkaji number：J3.691.189A

NCB-0846

NCB-0846
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C21H21N5O2
Molecular formula furigana： C21-H21-N5-O2
Molecular weight： 375.432
InChI： InChI=1S/C21H21N5O2/c27-15-5-7-16(8-6-15)28-19-3-1-2-13-11-22-21(26-20(13)19)25-14-4-9-17-18(10-14)24-12-23-17/h1-4,9-12,15-16,27H,5-8H2,(H,23,24)(H,22,25,26)/t15-,16+
InChI key： FYWRWBSYRGSWIQ-IYBDPMFKSA-N
SMILES： O[C@H]1CC[C@H](CC1)Oc1cccc2cnc(Nc3ccc4nc[nH]c4c3)nc12
Systematic name  (4)：
  • (1α)-4α-[[2-(1H-ベンゾイミダゾール-6-イルアミノ)-8-キナゾリニル]オキシ]シクロヘキサノール
  • 4α-[[2-(1H-ベンゾイミダゾール-6-イル)アミノキナゾリン-8-イル]オキシ]シクロヘキサン-1α-オール
  • (1s,4s)-4-({2-[(1H-1,3-ベンゾジアゾール-6-イル)アミノ]キナゾリン-8-イル}オキシ)シクロヘキサン-1-オール
  • (1s,4s)-4-({2-[(1H-1,3-benzodiazol-6-yl)amino]quinazolin-8-yl}oxy)cyclohexan-1-ol
Other name (3)：
  • (1α)-4α-[[2-(1H-Benzoimidazole-6-ylamino)-8-quinazolinyl]oxy]cyclohexanol
  • NCB-0846
  • 4α-[[2-(1H-Benzoimidazole-6-yl)aminoquinazoline-8-yl]oxy]cyclohexane-1α-ol
CAS registry number： 1792999-26-8
Thsaurus map：
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