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ZINC00936997 5-naphthalen-2-yl-3-prop-2-enylthieno[3,2-e]pyrimidin-4-o

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摘 要:ZINC00936997 5-naphthalen-2-yl-3-prop-2-enylthieno[3,2-e]pyrimidin-4-one,Canonical SMILES: C=CCN1C=NC2=C(C1=O)C(=CS2)C3=CC4=CC=CC=C4C=C3,InChI: InChI=1/C19H14N2OS/c1-2-9-21-12-20-18-17(19(21)22)16(11-23-18)15-8-7-13-,5-3-4-6-14(13)10-15/h2-8,10-12H,1
[Synonyms]
ZINC00936997
[Structure]
ZINC00936997 5-naphthalen-2-yl-3-prop-2-enylthieno[3,2-e]pyrimidin-4-o

[ Properties Computed from Structure]
Molecular Weight318.39226 [g/mol]
Molecular FormulaC19H14N2OS
XLogP3.9
H-Bond Donor0
H-Bond Acceptor2
Rotatable Bond Count3
Exact Mass318.082684
MonoIsotopic Mass318.082684
Topological Polar Surface Area32.7
Heavy Atom Count23
Formal Charge0
Complexity506
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: 5-naphthalen-2-yl-3-prop-2-enylthieno[3,2-e]pyrimidin-4-one
Canonical SMILES: C=CCN1C=NC2=C(C1=O)C(=CS2)C3=CC4=CC=CC=C4C=C3
InChI: InChI=1/C19H14N2OS/c1-2-9-21-12-20-18-17(19(21)22)16(11-23-18)15-8-7-13-
5-3-4-6-14(13)10-15/h2-8,10-12H,1,9H2

 
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