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161559-33-7 | 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-[2-(methylphenylamino)ethyl]-
CAS No: 161559-33-7 Catalog No: AG001VOD MDL No:
Product Description
Catalog Number:
AG001VOD
Chemical Name:
1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-[2-(methylphenylamino)ethyl]-
CAS Number:
161559-33-7
Molecular Formula:
C16H19N5O2
Molecular Weight:
313.3544
IUPAC Name:
1,3-dimethyl-7-[2-(N-methylanilino)ethyl]purine-2,6-dione
InChI:
InChI=1S/C16H19N5O2/c1-18(12-7-5-4-6-8-12)9-10-21-11-17-14-13(21)15(22)20(3)16(23)19(14)2/h4-8,11H,9-10H2,1-3H3
InChI Key:
DJMOXMNDXFFONV-UHFFFAOYSA-N
SMILES:
CN(c1ccccc1)CCn1cnc2c1c(=O)n(C)c(=O)n2C
Properties
Complexity:
465
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.154g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.361g/mol
Monoisotopic Mass:
313.154g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
61.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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