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23237-83-4 | 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-[3-[4-(2-propen-1-yl)-1-piperazinyl]propyl]-, hydrochloride (1:2)
CAS No: 23237-83-4 Catalog No: AG002MLS MDL No:
Product Description
Catalog Number:
AG002MLS
Chemical Name:
1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-[3-[4-(2-propen-1-yl)-1-piperazinyl]propyl]-, hydrochloride (1:2)
CAS Number:
23237-83-4
Molecular Formula:
C17H28Cl2N6O2
Molecular Weight:
419.3492
IUPAC Name:
1,3-dimethyl-7-[3-(4-prop-2-enylpiperazin-1-yl)propyl]purine-2,6-dione;dihydrochloride
InChI:
InChI=1S/C17H26N6O2.2ClH/c1-4-6-21-9-11-22(12-10-21)7-5-8-23-13-18-15-14(23)16(24)20(3)17(25)19(15)2;;/h4,13H,1,5-12H2,2-3H3;2*1H
InChI Key:
KAZNKFKLAGFRMW-UHFFFAOYSA-N
SMILES:
C=CCN1CCN(CC1)CCCn1cnc2c1c(=O)n(C)c(=O)n2C.Cl.Cl
Properties
Complexity:
519
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
418.165g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
419.351g/mol
Monoisotopic Mass:
418.165g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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