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Thymitaq ,Nolatrexed ,Nolatrexed dihydrochloride ,AG 337 ,AG-337 ,LS-1

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摘 要:Thymitaq ,Nolatrexed ,Nolatrexed dihydrochloride ,AG 337 ,AG-337 ,LS-186985,2-Amino-6-methyl-5-(4-pyridinylthio)-4(1H)-quinazolinone dihydrochloride,4(1H)-Quinazolinone, 2-amino-6-methyl-5-(4-pyridinylthio)-, dihydrochloride,3,4-Dihydro-2-amino-6-met
[Synonyms]
Thymitaq
Nolatrexed
Nolatrexed dihydrochloride
AG 337
AG-337
LS-186985
2-Amino-6-methyl-5-(4-pyridinylthio)-4(1H)-quinazolinone dihydrochloride
4(1H)-Quinazolinone, 2-amino-6-methyl-5-(4-pyridinylthio)-, dihydrochloride
3,4-Dihydro-2-amino-6-methyl-4-oxo-5-(4-pyridylthio)quinazoline dihydrochloride
152946-68-4

[Structure]
Thymitaq ,Nolatrexed ,Nolatrexed dihydrochloride ,AG 337 ,AG-337 ,LS-1

[ Properties Computed from Structure]
Molecular Weight357.25816 [g/mol]
Molecular FormulaC14H14Cl2N4OS
H-Bond Donor4
H-Bond Acceptor4
Rotatable Bond Count2
Tautomer Count6
Exact Mass356.026537
MonoIsotopic Mass356.026537
Topological Polar Surface Area80.4
Heavy Atom Count22
Formal Charge0
Complexity408
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count3

[ Descriptors Computed from Structure]
IUPAC Name: 2-amino-6-methyl-5-pyridin-4-ylsulfanyl-1H-quinazolin-4-one
dihydrochloride
Canonical SMILES: CC1=C(C2=C(C=C1)NC(=NC2=O)N)SC3=CC=NC=C3.Cl.Cl
InChI: InChI=1/C14H12N4OS.2ClH/c1-8-2-3-10-11(13(19)18-14(15)17-10)12(8)20-9-4-
6-16-7-5-9;;/h2-7H,1H3,(H3,15,17,18,19);2*1H/f/h17H,15H2;;

 
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