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116142-55-3 | 6H-Purin-6-one, 2-amino-1,7,8,9-tetrahydro-1-methyl-8-thioxo-
CAS No: 116142-55-3 Catalog No: AG000BR5 MDL No:
Product Description
Catalog Number:
AG000BR5
Chemical Name:
6H-Purin-6-one, 2-amino-1,7,8,9-tetrahydro-1-methyl-8-thioxo-
CAS Number:
116142-55-3
Molecular Formula:
C6H7N5OS
Molecular Weight:
197.2177
IUPAC Name:
2-amino-1-methyl-8-sulfanylidene-7,9-dihydropurin-6-one
InChI:
InChI=1S/C6H7N5OS/c1-11-4(12)2-3(9-5(11)7)10-6(13)8-2/h1H3,(H2,7,9)(H2,8,10,13)
InChI Key:
KPEQWOVXQPZPEN-UHFFFAOYSA-N
SMILES:
S=c1[nH]c2c([nH]1)c(=O)n(c(n2)N)C
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.037g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
197.216g/mol
Monoisotopic Mass:
197.037g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.5
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