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89334-11-2 | 2,4(1H,3H)-Pteridinedione, 7,7'-dithiobis[3-methyl-
CAS No: 89334-11-2 Catalog No: AG003ZGU MDL No:
Product Description
Catalog Number:
AG003ZGU
Chemical Name:
2,4(1H,3H)-Pteridinedione, 7,7'-dithiobis[3-methyl-
CAS Number:
89334-11-2
Molecular Formula:
C14H10N8O4S2
Molecular Weight:
418.4104
IUPAC Name:
3-methyl-7-[(3-methyl-2,4-dioxo-1H-pteridin-7-yl)disulfanyl]-1H-pteridine-2,4-dione
InChI:
InChI=1S/C14H10N8O4S2/c1-21-11(23)7-9(19-13(21)25)17-5(3-15-7)27-28-6-4-16-8-10(18-6)20-14(26)22(2)12(8)24/h3-4H,1-2H3,(H,17,19,25)(H,18,20,26)
InChI Key:
PJDQNYZGUAJCKK-UHFFFAOYSA-N
SMILES:
O=c1[nH]c2nc(SSc3cnc4c(n3)[nH]c(=O)n(c4=O)C)cnc2c(=O)n1C
Properties
Complexity:
653
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
418.027g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
418.406g/mol
Monoisotopic Mass:
418.027g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
201A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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