Chem
J-GLOBAL ID:200907049656618018   Nikkaji number:J440.852G

2-[3-(2-Adamantyl)guanidino]-5-[2-[3,5-di(trifluoromethyl)phenyl]hydrazono]-6-methylpyrimidine-4(5H)-one

2-[3-(2-アダマンチル)グアニジノ]-5-[2-[3,5-ジ(トリフルオロメチル)フェニル]ヒドラゾノ]-6-メチルピリミジン-4(5H)-オン
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: C24H25F6N7O
Molecular formula furigana: C24-H25-F6-N7-O
Molecular weight: 541.502
InChI: InChI=1S/C24H25F6N7O/c1-10-18(37-36-17-8-15(23(25,26)27)7-16(9-17)24(28,29)30)20(38)34-22(32-10)35-21(31)33-19-13-3-11-2-12(5-13)6-14(19)4-11/h7-9,11-14,19,36H,2-6H2,1H3,(H3,31,33,34,35,38)/t11?,12?,13-,14?,19?
InChI key: DTDNYWHCPHJYSL-JBIDQVRYSA-N
SMILES: CC1=NC(=NC(=O)C1=NNc1cc(cc(c1)C(F)(F)F)C(F)(F)F)NC(=N)NC1C2CC3CC(C2)C[C@@H]1C3
Systematic name  (3):
  • 2-[3-(2-アダマンチル)グアニジノ]-5-[2-[3,5-ジ(トリフルオロメチル)フェニル]ヒドラゾノ]-6-メチルピリミジン-4(5H)-オン
  • N-(アダマンタン-2-イル)-N'-(5-{2-[3,5-ビス(トリフルオロメチル)フェニル]ヒドラジン-1-イリデン}-6-メチル-4-オキソ-4,5-ジヒドロピリミジン-2-イル)グアニジン
  • N-(adamantan-2-yl)-N'-(5-{2-[3,5-bis(trifluoromethyl)phenyl]hydrazin-1-ylidene}-6-methyl-4-oxo-4,5-dihydropyrimidin-2-yl)guanidine
Other name (1):
  • 2-[3-(2-Adamantyl)guanidino]-5-[2-[3,5-di(trifluoromethyl)phenyl]hydrazono]-6-methylpyrimidine-4(5H)-one
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