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4-(4-benzylpiperazino)-5-(4-chlorophenyl)-2-(dimethylamino)-7-methyl-5H-pyrano[2,3-d]pyrimidine-6-carboxylic acid ethyl ester
SpectraBase Compound ID CzI4KotnyMd
InChI InChI=1S/C30H34ClN5O3/c1-5-38-29(37)24-20(2)39-28-26(25(24)22-11-13-23(31)14-12-22)27(32-30(33-28)34(3)4)36-17-15-35(16-18-36)19-21-9-7-6-8-10-21/h6-14,25H,5,15-19H2,1-4H3
InChIKey SDQMXEUBXYCWST-UHFFFAOYSA-N
Mol Weight 548.1 g/mol
Molecular Formula C30H34ClN5O3
Exact Mass 547.235018 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3TbyCcdIo6n
Name 4-(4-benzylpiperazino)-5-(4-chlorophenyl)-2-(dimethylamino)-7-methyl-5H-pyrano[2,3-d]pyrimidine-6-carboxylic acid ethyl ester
Alternate Name(s) 5-(4-Chlorophenyl)-2-(dimethylamino)-7-methyl-4-[4-(phenylmethyl)-1-piperazinyl]-5H-pyrano[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Ethyl 4-(4-benzylpiperazin-1-yl)-5-(4-chlorophenyl)-2-(dimethylamino)-7-methyl-5H-pyrano[2,3-d]pyrimidine-6-carboxylate Ethyl 5-(4-chlorophenyl)-2-(dimethylamino)-7-methyl-4-[4-(phenylmethyl)piperazin-1-yl]-5H-pyrano[2,3-d]pyrimidine-6-carboxylate
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Formula C30H34ClN5O3
InChI InChI=1S/C30H34ClN5O3/c1-5-38-29(37)24-20(2)39-28-26(25(24)22-11-13-23(31)14-12-22)27(32-30(33-28)34(3)4)36-17-15-35(16-18-36)19-21-9-7-6-8-10-21/h6-14,25H,5,15-19H2,1-4H3
InChIKey SDQMXEUBXYCWST-UHFFFAOYSA-N
Molecular Weight 548.087 g/mol
SMILES c12c(nc(nc2OC(=C(C1c1ccc(cc1)Cl)C(=O)OCC)C)N(C)C)N1CCN(CC1)Cc1ccccc1
SPLASH splash10-0zfr-0001930000-ead8946ca9751b4256bd
Source of Spectrum F-51-5910-5
Wiley ID 792051