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11-(4-Chlorophenyl)-2-methyl-6,7,11,12-tetrahydro-5H-benzo[3',4']cyclohepta[2',1':4,5]thieno[2,3-d]pyrimidin-12-imine
SpectraBase Compound ID C3q6RIVA107
InChI InChI=1S/C22H18ClN3S/c1-13-5-6-14-3-2-4-18-19(17(14)11-13)20-21(24)26(12-25-22(20)27-18)16-9-7-15(23)8-10-16/h5-12,24H,2-4H2,1H3
InChIKey CNQPZCLKRYIQAB-UHFFFAOYSA-N
Mol Weight 391.92 g/mol
Molecular Formula C22H18ClN3S
Exact Mass 391.090996 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4ZVHbSUaBof
Name 11-(4-Chlorophenyl)-2-methyl-6,7,11,12-tetrahydro-5H-benzo[3',4']cyclohepta[2',1':4,5]thieno[2,3-d]pyrimidin-12-imine
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Formula C22H18ClN3S
InChI InChI=1S/C22H18ClN3S/c1-13-5-6-14-3-2-4-18-19(17(14)11-13)20-21(24)26(12-25-22(20)27-18)16-9-7-15(23)8-10-16/h5-12,24H,2-4H2,1H3
InChIKey CNQPZCLKRYIQAB-UHFFFAOYSA-N
Molecular Weight 391.920 g/mol
SMILES N=C1c2c(N=CN1c1ccc(cc1)Cl)sc1c2-c2c(ccc(c2)C)CCC1
SPLASH splash10-0006-3009000000-f691e83a1b2af49778d7
Source of Spectrum CV-0-497-5
Synonyms 11-(4-chlorophenyl)-2-methyl-5,6,7,11-tetrahydro-12H-benzo[6',7']cyclohepta[1',2':4,5]thieno[2,3-d]pyrimidin-12-imine
Wiley ID 849116