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16908-49-9 | Ethanol, 2,2',2'',2'''-[pyrimido[5,4-d]pyrimidine-2,4,6,8-tetrayltetrakis(methylimino)]tetrakis-
CAS No: 16908-49-9 Catalog No: AG001YH2 MDL No:
Product Description
Catalog Number:
AG001YH2
Chemical Name:
Ethanol, 2,2',2'',2'''-[pyrimido[5,4-d]pyrimidine-2,4,6,8-tetrayltetrakis(methylimino)]tetrakis-
CAS Number:
16908-49-9
Molecular Formula:
C18H32N8O4
Molecular Weight:
424.4979
IUPAC Name:
2-[methyl-[2,4,6-tris[2-hydroxyethyl(methyl)amino]pyrimido[5,4-d]pyrimidin-8-yl]amino]ethanol
InChI:
InChI=1S/C18H32N8O4/c1-23(5-9-27)15-13-14(20-17(21-15)25(3)7-11-29)16(24(2)6-10-28)22-18(19-13)26(4)8-12-30/h27-30H,5-12H2,1-4H3
InChI Key:
CWTIUCOKGMDEAZ-UHFFFAOYSA-N
SMILES:
OCCN(c1nc(nc2c1nc(nc2N(CCO)C)N(CCO)C)N(CCO)C)C
NSC Number:
516474
Properties
Complexity:
451
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
424.255g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
424.506g/mol
Monoisotopic Mass:
424.255g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
145A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1
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