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14684-64-1 | Formamide, N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-N-[4-hydroxy-1-methyl-2-(propylsulfinyl)-1-buten-1-yl]-
CAS No: 14684-64-1 Catalog No: AG001EE3 MDL No:
Product Description
Catalog Number:
AG001EE3
Chemical Name:
Formamide, N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-N-[4-hydroxy-1-methyl-2-(propylsulfinyl)-1-buten-1-yl]-
CAS Number:
14684-64-1
Molecular Formula:
C15H24N4O3S
Molecular Weight:
340.4411
IUPAC Name:
N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-N-(5-hydroxy-3-propylsulfinylpent-2-en-2-yl)formamide
InChI:
InChI=1S/C15H24N4O3S/c1-4-7-23(22)14(5-6-20)11(2)19(10-21)9-13-8-17-12(3)18-15(13)16/h8,10,20H,4-7,9H2,1-3H3,(H2,16,17,18)
InChI Key:
YDYVGOMVKLDMIY-UHFFFAOYSA-N
SMILES:
OCCC(=C(N(Cc1cnc(nc1N)C)C=O)C)S(=O)CCC
Properties
Complexity:
444
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.157g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
340.442g/mol
Monoisotopic Mass:
340.157g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
-0.4
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