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6,7,8,9-Tetrahydro-2-(4-methoxyphenyl)-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-amine
SpectraBase Compound ID BnzDNpHl1gp
InChI InChI=1S/C18H19N3OS/c1-22-12-9-7-11(8-10-12)17-20-16(19)15-13-5-3-2-4-6-14(13)23-18(15)21-17/h7-10H,2-6H2,1H3,(H2,19,20,21)
InChIKey VQAOVHHOUYGCMV-UHFFFAOYSA-N
Mol Weight 325.43 g/mol
Molecular Formula C18H19N3OS
Exact Mass 325.124883 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KFLTU7VxSQJ
Name 6,7,8,9-Tetrahydro-2-(4-methoxyphenyl)-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-amine
Alternate Name(s) 2-(4-Methoxyphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-amine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H19N3OS
InChI InChI=1S/C18H19N3OS/c1-22-12-9-7-11(8-10-12)17-20-16(19)15-13-5-3-2-4-6-14(13)23-18(15)21-17/h7-10H,2-6H2,1H3,(H2,19,20,21)
InChIKey VQAOVHHOUYGCMV-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hlca.201500008
Molecular Weight 325.430 g/mol
SMILES Nc1c2c3c(sc2nc(-c2ccc(cc2)OC)n1)CCCCC3
SPLASH splash10-004j-1459000000-c5cfd0959223d8aa5bef
Source of Spectrum H-98-1084-9k
Wiley ID 1786382