Chem
J-GLOBAL ID:200907013471112300
Nikkaji number:J1.670.439C
PA-451
2-{メチル[5,5,8,8-テトラメチル-3-(ペンチルオキシ)-5,6,7,8-テトラヒドロナフタレン-2-イル]アミノ}ピリミジン-5-カルボン酸
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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:
C25 H35 N3 O3
Molecular formula furigana:
C25-H35-N3-O3
Molecular weight:
425.573
InChI:
InChI=1S/C25H35N3O3/c1-7-8-9-12-31-21-14-19-18(24(2,3)10-11-25(19,4)5)13-20(21)28(6)23-26-15-17(16-27-23)22(29)30/h13-16H,7-12H2,1-6H3,(H,29,30)
InChI key:
PMHLEYZHMPYVLJ-UHFFFAOYSA-N
SMILES:
CCCCCOc1cc2c(cc1N(C)c1ncc(cn1)C(=O)O)C(C)(C)CCC2(C)C
Systematic name (3):
2-[メチル[(1,1,4,4-テトラメチル-7-(ペンチルオキシ)-1,2,3,4-テトラヒドロナフタレン)-6-イル]アミノ]ピリミジン-5-カルボン酸
2-{メチル[5,5,8,8-テトラメチル-3-(ペンチルオキシ)-5,6,7,8-テトラヒドロナフタレン-2-イル]アミノ}ピリミジン-5-カルボン酸
2-{methyl[5,5,8,8-tetramethyl-3-(pentyloxy)-5,6,7,8-tetrahydronaphthalen-2-yl]amino}pyrimidine-5-carboxylic acid
Other name (2):
2-[Methyl[(1,1,4,4-tetramethyl-7-(pentyloxy)-1,2,3,4-tetrahydronaphthalene)-6-yl]amino]pyrimidine-5-carboxylic acid
PA-451
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