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(6Z)-6-[4-(dimethylamino)benzylidene]-2-heptyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
SpectraBase Compound ID B78Bw6KFoS3
InChI InChI=1S/C21H27N5OS/c1-4-5-6-7-8-9-18-24-26-19(22)17(20(27)23-21(26)28-18)14-15-10-12-16(13-11-15)25(2)3/h10-14,22H,4-9H2,1-3H3/b17-14-,22-19?
InChIKey CYUVFNGXRPTMLI-JWGSSVRRSA-N
Mol Weight 397.54 g/mol
Molecular Formula C21H27N5OS
Exact Mass 397.193632 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BY5kvotTpWh
Name (6Z)-6-[(4-dimethylaminophenyl)methylidene]-2-heptyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Alternate Name(s) (6Z)-6-[4-(dimethylamino)benzylidene]-2-heptyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (6Z)-6-[4-(dimethylamino)benzylidene]-2-heptyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (6Z)-6-[[4-(dimethylamino)phenyl]methylidene]-2-heptyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (6Z)-6-[[4-(dimethylamino)phenyl]methylene]-2-heptyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
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Formula C21H27N5OS
InChI InChI=1S/C21H27N5OS/c1-4-5-6-7-8-9-18-24-26-19(22)17(20(27)23-21(26)28-18)14-15-10-12-16(13-11-15)25(2)3/h10-14,22H,4-9H2,1-3H3/b17-14-,22-19?
InChIKey CYUVFNGXRPTMLI-JWGSSVRRSA-N
Molecular Weight 397.541 g/mol
SMILES N=C1\C(C(=O)N=C2N1N=C(CCCCCCC)S2)=C\c1ccc(cc1)N(C)C
SPLASH splash10-0002-4900000000-f1d1b4ad32adf94cc74f
Wiley ID 1453543