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138612-38-1 | 7H-Pyrimido[4,5-b][1,4]oxazin-7-one, 4-amino-6-methyl-2-(methylthio)-
CAS No: 138612-38-1 Catalog No: AG0018UJ MDL No:
Product Description
Catalog Number:
AG0018UJ
Chemical Name:
7H-Pyrimido[4,5-b][1,4]oxazin-7-one, 4-amino-6-methyl-2-(methylthio)-
CAS Number:
138612-38-1
Molecular Formula:
C8H8N4O2S
Molecular Weight:
224.2397
IUPAC Name:
4-amino-6-methyl-2-methylsulfanylpyrimido[4,5-b][1,4]oxazin-7-one
InChI:
InChI=1S/C8H8N4O2S/c1-3-7(13)14-6-4(10-3)5(9)11-8(12-6)15-2/h1-2H3,(H2,9,11,12)
InChI Key:
ATOAOLFUSRSWHI-UHFFFAOYSA-N
SMILES:
CSc1nc(N)c2c(n1)oc(=O)c(n2)C
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.037g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
224.238g/mol
Monoisotopic Mass:
224.037g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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