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121875-96-5 | 1H-Purine-2,6-dione, 3,7-dihydro-1-methyl-3,7-dipropyl-
CAS No: 121875-96-5 Catalog No: AG00166W MDL No:
Product Description
Catalog Number:
AG00166W
Chemical Name:
1H-Purine-2,6-dione, 3,7-dihydro-1-methyl-3,7-dipropyl-
CAS Number:
121875-96-5
Molecular Formula:
C12H18N4O2
Molecular Weight:
250.2969
IUPAC Name:
1-methyl-3,7-dipropylpurine-2,6-dione
InChI:
InChI=1S/C12H18N4O2/c1-4-6-15-8-13-10-9(15)11(17)14(3)12(18)16(10)7-5-2/h8H,4-7H2,1-3H3
InChI Key:
HERBEZMVPIUPHT-UHFFFAOYSA-N
SMILES:
CCCn1cnc2c1c(=O)n(C)c(=O)n2CCC
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.143g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.302g/mol
Monoisotopic Mass:
250.143g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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