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Methyl 4-{[3-(Dimethylamino)propyl]amino}-8-isopropyl-2-phenyl-5,8,9,10-tetrahydropyrimido-[4,5-d]azocine-6-carboxylate
SpectraBase Compound ID 24W3y1dokpn
InChI InChI=1S/C25H35N5O2/c1-18(2)30-15-12-22-21(16-20(17-30)25(31)32-5)24(26-13-9-14-29(3)4)28-23(27-22)19-10-7-6-8-11-19/h6-8,10-11,17-18H,9,12-16H2,1-5H3,(H,26,27,28)/b20-17+
InChIKey NXFSVCNNVJTXAB-LVZFUZTISA-N
Mol Weight 437.6 g/mol
Molecular Formula C25H35N5O2
Exact Mass 437.279075 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1jBR9D3SAI6
Name Methyl 4-{[3-(Dimethylamino)propyl]amino}-8-isopropyl-2-phenyl-5,8,9,10-tetrahydropyrimido-[4,5-d]azocine-6-carboxylate
Alternate Name(s) (E)-methyl 4-((3-(dimethylamino)propyl)amino)-8-isopropyl-2-phenyl-5,8,9,10-tetrahydropyrimido[4,5-d]azocine-6-carboxylate (6E)-4-[3-(dimethylamino)propylamino]-2-phenyl-8-propan-2-yl-9,10-dihydro-5H-pyrimido[4,5-d]azocine-6-carboxylic acid methyl ester Methyl (6E)-4-[3-(dimethylamino)propylamino]-8-isopropyl-2-phenyl-9,10-dihydro-5H-pyrimido[4,5-d]azocine-6-carboxylate Methyl (6E)-4-[3-(dimethylamino)propylamino]-2-phenyl-8-propan-2-yl-9,10-dihydro-5H-pyrimido[4,5-d]azocine-6-carboxylate
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Formula C25H35N5O2
InChI InChI=1S/C25H35N5O2/c1-18(2)30-15-12-22-21(16-20(17-30)25(31)32-5)24(26-13-9-14-29(3)4)28-23(27-22)19-10-7-6-8-11-19/h6-8,10-11,17-18H,9,12-16H2,1-5H3,(H,26,27,28)/b20-17+
InChIKey NXFSVCNNVJTXAB-LVZFUZTISA-N
Molecular Weight 437.588 g/mol
SMILES N(c1nc(nc2c1C\C(=C/N(CC2)C(C)C)C(=O)OC)-c1ccccc1)CCCN(C)C
SPLASH splash10-0aos-2009000000-62e16c1c2169a2393c23
Source of Spectrum HC-49-1184-14
Wiley ID 1742448