2-[[4-chloro-6-isopropoxy-1,3,5-triazin-2-yl]amino]-5-[[1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo
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Product Description
Product
2-[[4-chloro-6-isopropoxy-1,3,5-triazin-2-yl]amino]-5-[[1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo
CAS
93980-98-4
Formula
C21H24ClN7O12S3
Typical Product Specifications
Molecular weight
698.10
EINECS
301-079-7
SMILES
c1(c(=O)n(c(c(c1C)/N=N/c1c(S(=O)(=O)O)cc(c(S(=O)(=O)O)c1)Nc1nc(nc(n1)Cl)OC(C)C)O)CC)CS(=O)(=O)O
InChI
QNRKVKUHKXUIIN-BYYHNAKLSA-N
InChIKey
1S/C21H24ClN7O12S3/c1-5-29-17(30)11(8-42(32,33)34)10(4)16(18(29)31)28-27-13-7-14(43(35,36)37)12(6-15(13)44(38,39)40)23-20-24-19(22)25-21(26-20)41-9(2)3/h6-7,9,31H,5,8H2,1-4H3,(H,32,33,34)(H,35,36,37)(H,38,39,40)(H,23,24,25,26)/b28-27+
Class
2-[[4-chloro-6-isopropoxy-1,3,5-triazin-2-yl]amino]-5-[[1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo
Product Description
Product
2-[[4-chloro-6-isopropoxy-1,3,5-triazin-2-yl]amino]-5-[[1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo
CAS
93980-98-4
Formula
C21H24ClN7O12S3
Typical Product Specifications
Molecular weight
698.10
EINECS
301-079-7
SMILES
c1(c(=O)n(c(c(c1C)/N=N/c1c(S(=O)(=O)O)cc(c(S(=O)(=O)O)c1)Nc1nc(nc(n1)Cl)OC(C)C)O)CC)CS(=O)(=O)O
InChI
QNRKVKUHKXUIIN-BYYHNAKLSA-N
InChIKey
1S/C21H24ClN7O12S3/c1-5-29-17(30)11(8-42(32,33)34)10(4)16(18(29)31)28-27-13-7-14(43(35,36)37)12(6-15(13)44(38,39)40)23-20-24-19(22)25-21(26-20)41-9(2)3/h6-7,9,31H,5,8H2,1-4H3,(H,32,33,34)(H,35,36,37)(H,38,39,40)(H,23,24,25,26)/b28-27+
Class
