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1220036-01-0 | 4H-Pyrrolo[3,4-d]pyrimidin-4-one, 3,5,6,7-tetrahydro-2-phenyl-
CAS No: 1220036-01-0 Catalog No: AG0016LE MDL No:
Product Description
Catalog Number:
AG0016LE
Chemical Name:
4H-Pyrrolo[3,4-d]pyrimidin-4-one, 3,5,6,7-tetrahydro-2-phenyl-
CAS Number:
1220036-01-0
Molecular Formula:
C12H11N3O
Molecular Weight:
213.2352
IUPAC Name:
2-phenyl-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
InChI:
InChI=1S/C12H11N3O/c16-12-9-6-13-7-10(9)14-11(15-12)8-4-2-1-3-5-8/h1-5,13H,6-7H2,(H,14,15,16)
InChI Key:
LUGACZOWTBRIFY-UHFFFAOYSA-N
SMILES:
O=c1[nH]c(nc2c1CNC2)c1ccccc1
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.09g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
213.24g/mol
Monoisotopic Mass:
213.09g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
53.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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