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79493-89-3 | 4(1H)-Pteridinone,2-amino-5,6,7,8-tetrahydro-7-methyl-, (S)- (9CI)
CAS No: 79493-89-3 Catalog No: AG0051TF MDL No:
Product Description
Catalog Number:
AG0051TF
Chemical Name:
4(1H)-Pteridinone,2-amino-5,6,7,8-tetrahydro-7-methyl-, (S)- (9CI)
CAS Number:
79493-89-3
Molecular Formula:
C7H11N5O
Molecular Weight:
181.1951
IUPAC Name:
(7S)-2-amino-7-methyl-5,6,7,8-tetrahydro-3H-pteridin-4-one
InChI:
InChI=1S/C7H11N5O/c1-3-2-9-4-5(10-3)11-7(8)12-6(4)13/h3,9H,2H2,1H3,(H4,8,10,11,12,13)/t3-/m0/s1
InChI Key:
MTDPMYKLKRJFNL-VKHMYHEASA-N
SMILES:
C[C@H]1CNc2c(N1)[nH]c(nc2=O)N
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
181.096g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
181.199g/mol
Monoisotopic Mass:
181.096g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
91.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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