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5-[(E)-[(4-bromophenyl)methylidene]amino]-4-butyl-13-(methoxymethyl)-11-methyl-8-thia-3,5,10-triazatricyclo[7.4.0.0(2,7)]trideca-1(13),2(7),3,9,11-pentaen-6-one
SpectraBase Compound ID FpoqaapzISN
InChI InChI=1S/C23H23BrN4O2S/c1-4-5-6-18-27-20-19-16(13-30-3)11-14(2)26-22(19)31-21(20)23(29)28(18)25-12-15-7-9-17(24)10-8-15/h7-12H,4-6,13H2,1-3H3/b25-12+
InChIKey CHJLAUGKUPXXFU-BRJLIKDPSA-N
Mol Weight 499.43 g/mol
Molecular Formula C23H23BrN4O2S
Exact Mass 498.07251 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JoqdjKlaWs2
Name 5-[(E)-[(4-bromophenyl)methylidene]amino]-4-butyl-13-(methoxymethyl)-11-methyl-8-thia-3,5,10-triazatricyclo[7.4.0.0(2,7)]trideca-1(13),2(7),3,9,11-pentaen-6-one
Alternate Name(s) Pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one, 3-[[(4-bromophenyl)methylidene]amino]-2-butyl-9-(methoxymethyl)-7-methyl- 3-[(E)-(4-bromophenyl)methylideneamino]-2-butyl-9-(methoxymethyl)-7-methyl-4-pyrido[1,2]thieno[3,4-d]pyrimidinone 3-[(E)-(4-bromophenyl)methylideneamino]-2-butyl-9-(methoxymethyl)-7-methylpyrido[1,2]thieno[3,4-d]pyrimidin-4-one 3-[(E)-(4-bromophenyl)methyleneamino]-2-butyl-9-(methoxymethyl)-7-methyl-pyrido[1,2]thieno[3,4-d]pyrimidin-4-one 3-[(E)-(4-bromophenyl)methylideneamino]-2-butyl-9-(methoxymethyl)-7-methyl-pyrido[1,2]thieno[3,4-d]pyrimidin-4-one
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Formula C23H23BrN4O2S
InChI InChI=1S/C23H23BrN4O2S/c1-4-5-6-18-27-20-19-16(13-30-3)11-14(2)26-22(19)31-21(20)23(29)28(18)25-12-15-7-9-17(24)10-8-15/h7-12H,4-6,13H2,1-3H3/b25-12+
InChIKey CHJLAUGKUPXXFU-BRJLIKDPSA-N
Molecular Weight 499.427 g/mol
SMILES C1(c2c(N=C(N1\N=C\c1ccc(cc1)Br)CCCC)c1c(s2)nc(cc1COC)C)=O
SPLASH splash10-0udi-9747100000-1293770ba4fe6c6fe310
Source of Spectrum IY-2-5024-0
Wiley ID 1658223