Chem
J-GLOBAL ID：200907015945844539   Nikkaji number：J323.124K

2-[4-[[[2-(Cyanoimino)hexahydro-4,6-dioxopyrimidin]-5-yl]azo]phenyl]-6-methyl-7-benzothiazolesulfonic acid

2-[4-[[[2-(シアノイミノ)ヘキサヒドロ-4,6-ジオキソピリミジン]-5-イル]アゾ]フェニル]-6-メチル-7-ベンゾチアゾールスルホン酸
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： C19H13N7O5S2
Molecular formula furigana： C19-H13-N7-O5-S2
Molecular weight： 483.480
InChI： InChI=1S/C19H13N7O5S2/c1-9-2-7-12-14(15(9)33(29,30)31)32-18(22-12)10-3-5-11(6-4-10)25-26-13-16(27)23-19(21-8-20)24-17(13)28/h2-7,13H,1H3,(H,29,30,31)(H2,21,23,24,27,28)
InChI key： STSWYQLPKUGPRL-UHFFFAOYSA-N
SMILES： Cc1ccc2nc(sc2c1S(=O)(=O)O)c1ccc(cc1)N=NC1C(=O)N/C(=N\C#N)/NC1=O
Systematic name  (3)：
  • 2-[4-[[[2-(シアノイミノ)ヘキサヒドロ-4,6-ジオキソピリミジン]-5-イル]アゾ]フェニル]-6-メチル-7-ベンゾチアゾールスルホン酸
  • 2-(4-{2-[2-(シアノイミノ)-4,6-ジオキソ-1,3-ジアジナン-5-イル]ジアゼン-1-イル}フェニル)-6-メチル-1,3-ベンゾチアゾール-7-スルホン酸
  • 2-(4-{2-[2-(cyanoimino)-4,6-dioxo-1,3-diazinan-5-yl]diazen-1-yl}phenyl)-6-methyl-1,3-benzothiazole-7-sulfonic acid
Other name (1)：
  • 2-[4-[[[2-(Cyanoimino)hexahydro-4,6-dioxopyrimidin]-5-yl]azo]phenyl]-6-methyl-7-benzothiazolesulfonic acid
CAS registry number： 55067-14-6
Regulation number (1)：
  • EINECS2594697
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