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115073-27-3 | Ethanone, 1-(5-amino-4-methyl-2-phenylthieno[2,3-d]pyrimidin-6-yl)-
CAS No: 115073-27-3 Catalog No: AG000FUZ MDL No:MFCD00829013
Product Description
Catalog Number:
AG000FUZ
Chemical Name:
Ethanone, 1-(5-amino-4-methyl-2-phenylthieno[2,3-d]pyrimidin-6-yl)-
CAS Number:
115073-27-3
Molecular Formula:
C15H13N3OS
Molecular Weight:
283.3482
MDL Number:
MFCD00829013
IUPAC Name:
1-(5-amino-4-methyl-2-phenylthieno[2,3-d]pyrimidin-6-yl)ethanone
InChI:
InChI=1S/C15H13N3OS/c1-8-11-12(16)13(9(2)19)20-15(11)18-14(17-8)10-6-4-3-5-7-10/h3-7H,16H2,1-2H3
InChI Key:
AJHBNPRQILKFEM-UHFFFAOYSA-N
SMILES:
CC(=O)c1sc2c(c1N)c(C)nc(n2)c1ccccc1
Properties
Complexity:
372
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.078g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
283.349g/mol
Monoisotopic Mass:
283.078g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
97.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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