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ZINC00929248,ASN 03270552, 2-(5,6-dimethylthieno[3,2-e]pyrimidin-4-yl)

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摘 要:ZINC00929248,ASN 03270552, 2-(5,6-dimethylthieno[3,2-e]pyrimidin-4-yl)sulfanyl-N-(4-methyl-1,,3-thiazol-2-yl)acetamide,Canonical SMILES: CC1=CSC(=N1)NC(=O)CSC2=NC=NC3=C2C(=C(S3)C)C,InChI: InChI=1/C14H14N4OS3/c1-7-4-21-14(17-7)18-10(19)5-20-12-11-8(2)
[Synonyms]
ZINC00929248
ASN 03270552

[Structure]
ZINC00929248,ASN 03270552, 2-(5,6-dimethylthieno[3,2-e]pyrimidin-4-yl)

[ Properties Computed from Structure]
Molecular Weight350.48216 [g/mol]
Molecular FormulaC14H14N4OS3
XLogP1
H-Bond Donor1
H-Bond Acceptor4
Rotatable Bond Count4
Tautomer Count3
Exact Mass350.032973
MonoIsotopic Mass350.032973
Topological Polar Surface Area67.8
Heavy Atom Count22
Formal Charge0
Complexity414
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-(5,6-dimethylthieno[3,2-e]pyrimidin-4-yl)sulfanyl-N-(4-methyl-1,
3-thiazol-2-yl)acetamide
Canonical SMILES: CC1=CSC(=N1)NC(=O)CSC2=NC=NC3=C2C(=C(S3)C)C
InChI: InChI=1/C14H14N4OS3/c1-7-4-21-14(17-7)18-10(19)5-20-12-11-8(2)9(3)22-13
(11)16-6-15-12/h4,6H,5H2,1-3H3,(H,17,18,19)/f/h18H

 
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