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N1-[12-Imino-2-methyl-6,7,11,12-tetrahydro-5H-benzo[3',4']cyclohepta[2',1':4,5]thieno[2,3-d]pyrimidine-11-yl]acetamide
SpectraBase Compound ID KtbosCch31E
InChI InChI=1S/C18H18N4OS/c1-10-6-7-12-4-3-5-14-15(13(12)8-10)16-17(19)22(21-11(2)23)9-20-18(16)24-14/h6-9,19H,3-5H2,1-2H3,(H,21,23)
InChIKey VMORAALYIGRBPP-UHFFFAOYSA-N
Mol Weight 338.43 g/mol
Molecular Formula C18H18N4OS
Exact Mass 338.120132 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7dtPf9VRorn
Name N1-[12-Imino-2-methyl-6,7,11,12-tetrahydro-5H-benzo[3',4']cyclohepta[2',1':4,5]thieno[2,3-d]pyrimidine-11-yl]acetamide
Alternate Name(s) N-(12-imino-2-methyl-6,7-dihydro-5H-benzo[6',7']cyclohepta[1',2':4,5]thieno[2,3-d]pyrimidin-11(12H)-yl)acetamide
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Formula C18H18N4OS
InChI InChI=1S/C18H18N4OS/c1-10-6-7-12-4-3-5-14-15(13(12)8-10)16-17(19)22(21-11(2)23)9-20-18(16)24-14/h6-9,19H,3-5H2,1-2H3,(H,21,23)
InChIKey VMORAALYIGRBPP-UHFFFAOYSA-N
Molecular Weight 338.429 g/mol
SMILES N=C1N(C=Nc2c1c-1c(s2)CCCc2c1cc(cc2)C)NC(=O)C
SPLASH splash10-0ab9-9021000000-6e90907ee383f3d77e6d
Source of Spectrum CV-0-498-10
Wiley ID 849106