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78270-83-4

78270-83-4 | PHENANTHRO[9,10-G]PTERIDINE-11-THIOL, 13-AMINO-

CAS No: 78270-83-4 Catalog No: AG005C0U MDL No:

Product Description

Catalog Number:
AG005C0U
Chemical Name:
PHENANTHRO[9,10-G]PTERIDINE-11-THIOL, 13-AMINO-
CAS Number:
78270-83-4
Molecular Formula:
C18H11N5S
Molecular Weight:
329.3784
IUPAC Name:
13-amino-12H-phenanthro[9,10-g]pteridine-11-thione
InChI:
InChI=1S/C18H11N5S/c19-16-15-17(23-18(24)22-16)21-14-12-8-4-2-6-10(12)9-5-1-3-7-11(9)13(14)20-15/h1-8H,(H3,19,21,22,23,24)
InChI Key:
YSHUTFYZOMSYNL-UHFFFAOYSA-N
SMILES:
Sc1nc(N)c2c(n1)nc1c(n2)c2ccccc2c2c1cccc2
UNII:
NM42GI024J
NSC Number:
355839

Properties

Complexity:
732  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.074g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
329.381g/mol
Monoisotopic Mass:
329.074g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  

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