Chem
J-GLOBAL ID:200907089720788226   Nikkaji number:J1.111.268D

CRA-1000

CRA-1000
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: C28H33FN4S
Molecular formula furigana: C28-H33-F-N4-S
Molecular weight: 476.660
InChI: InChI=1S/C28H33FN4S/c1-6-33(25-11-10-22(19(2)3)18-26(25)34-5)28-30-20(4)16-27(31-28)32-14-12-21(13-15-32)23-8-7-9-24(29)17-23/h7-12,16-19H,6,13-15H2,1-5H3
InChI key: DDSMCPASYQDKFS-UHFFFAOYSA-N
SMILES: CCN(c1nc(C)cc(n1)N1CCC(=CC1)c1cccc(F)c1)c1ccc(cc1SC)C(C)C
Systematic name  (4):
  • N-エチル-N-[2-(メチルチオ)-4-イソプロピルフェニル]-4-[1,2,5,6-テトラヒドロ-4-(3-フルオロフェニル)ピリジン-1-イル]-6-メチル-2-ピリミジンアミン
  • 2-[N-エチル-N-(2-メチルチオ-4-イソプロピルフェニル)アミノ]-6-メチル-4-[4-(3-フルオロフェニル)-1,2,3,6-テトラヒドロピリジン-1-イル]ピリミジン
  • N-エチル-4-[4-(3-フルオロフェニル)-1,2,3,6-テトラヒドロピリジン-1-イル]-6-メチル-N-[2-(メチルスルファニル)-4-(プロパン-2-イル)フェニル]ピリミジン-2-アミン
  • N-ethyl-4-[4-(3-fluorophenyl)-1,2,3,6-tetrahydropyridin-1-yl]-6-methyl-N-[2-(methylsulfanyl)-4-(propan-2-yl)phenyl]pyrimidin-2-amine
Other name (3):
  • N-Ethyl-N-[2-(methylthio)-4-isopropylphenyl]-4-[1,2,5,6-tetrahydro-4-(3-fluorophenyl)pyridine-1-yl]-6-methyl-2-pyrimidinamine
  • CRA-1000
  • 2-[N-Ethyl-N-(2-methylthio-4-isopropylphenyl)amino]-6-methyl-4-[4-(3-fluorophenyl)-1,2,3,6-tetrahydropyridine-1-yl]pyrimidine
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