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19148-20-0 | 6-Pteridinecarboxylic acid, 4,7-diamino-2-phenyl-, methyl ester
CAS No: 19148-20-0 Catalog No: AG002F9V MDL No:
Product Description
Catalog Number:
AG002F9V
Chemical Name:
6-Pteridinecarboxylic acid, 4,7-diamino-2-phenyl-, methyl ester
CAS Number:
19148-20-0
Molecular Formula:
C14H12N6O2
Molecular Weight:
296.2841
IUPAC Name:
methyl 4,7-diamino-2-phenylpteridine-6-carboxylate
InChI:
InChI=1S/C14H12N6O2/c1-22-14(21)9-11(16)19-13-8(17-9)10(15)18-12(20-13)7-5-3-2-4-6-7/h2-6H,1H3,(H4,15,16,18,19,20)
InChI Key:
QFESFQFUCZCTIF-UHFFFAOYSA-N
SMILES:
COC(=O)c1nc2c(N)nc(nc2nc1N)c1ccccc1
NSC Number:
251998
Properties
Complexity:
403
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.102g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
296.29g/mol
Monoisotopic Mass:
296.102g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
130A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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