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16372-06-8 | 4H-Pyrrolo[2,3-d]pyrimidin-4-one, 1,2,3,5,6,7-hexahydro-2-thioxo-
CAS No: 16372-06-8 Catalog No: AG001UCZ MDL No:
Product Description
Catalog Number:
AG001UCZ
Chemical Name:
4H-Pyrrolo[2,3-d]pyrimidin-4-one, 1,2,3,5,6,7-hexahydro-2-thioxo-
CAS Number:
16372-06-8
Molecular Formula:
C6H7N3OS
Molecular Weight:
169.2043
IUPAC Name:
2-sulfanylidene-1,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-4-one
InChI:
InChI=1S/C6H7N3OS/c10-5-3-1-2-7-4(3)8-6(11)9-5/h1-2H2,(H3,7,8,9,10,11)
InChI Key:
VITZTEXYFPRXOV-UHFFFAOYSA-N
SMILES:
O=c1[nH]c(=S)[nH]c2c1CCN2
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.031g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
169.202g/mol
Monoisotopic Mass:
169.031g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
85.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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