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MLS000538396,ZINC00935959,SMR000144433,ST5205750,N-benzyl-2-(4-oxo-6-p

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摘 要:MLS000538396,ZINC00935959,SMR000144433,ST5205750,N-benzyl-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3(4H)-yl)acetamide, 2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(phenylmethyl)acetamide,Canonical SMILES: C1=CC=C(C=C1)CNC(=O)CN2C=NC3=C(C2=O)C=C(S3
[Synonyms]
MLS000538396
ZINC00935959
SMR000144433
ST5205750
N-benzyl-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3(4H)-yl)acetamide

[Structure]
MLS000538396,ZINC00935959,SMR000144433,ST5205750,N-benzyl-2-(4-oxo-6-p

[ Properties Computed from Structure]
Molecular Weight375.44358 [g/mol]
Molecular FormulaC21H17N3O2S
XLogP2.6
H-Bond Donor1
H-Bond Acceptor3
Rotatable Bond Count5
Tautomer Count2
Exact Mass375.104147
MonoIsotopic Mass375.104147
Topological Polar Surface Area61.8
Heavy Atom Count27
Formal Charge0
Complexity570
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(phenylmethyl)acetamide
Canonical SMILES: C1=CC=C(C=C1)CNC(=O)CN2C=NC3=C(C2=O)C=C(S3)C4=CC=CC=C4
InChI: InChI=1/C21H17N3O2S/c25-19(22-12-15-7-3-1-4-8-15)13-24-14-23-20-17(21
(24)26)11-18(27-20)16-9-5-2-6-10-16/h1-11,14H,12-13H2,(H,22,25)/f/h22H

 
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