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88090-82-8 | Urea, N-cyclohexyl-N'-[4-(1H-purin-6-ylthio)butyl]-
CAS No: 88090-82-8 Catalog No: AG004EK8 MDL No:
Product Description
Catalog Number:
AG004EK8
Chemical Name:
Urea, N-cyclohexyl-N'-[4-(1H-purin-6-ylthio)butyl]-
CAS Number:
88090-82-8
Molecular Formula:
C16H24N6OS
Molecular Weight:
348.4664
IUPAC Name:
1-cyclohexyl-3-[4-(7H-purin-6-ylsulfanyl)butyl]urea
InChI:
InChI=1S/C16H24N6OS/c23-16(22-12-6-2-1-3-7-12)17-8-4-5-9-24-15-13-14(19-10-18-13)20-11-21-15/h10-12H,1-9H2,(H2,17,22,23)(H,18,19,20,21)
InChI Key:
FQMKMSUBCSZRAS-UHFFFAOYSA-N
SMILES:
O=C(NC1CCCCC1)NCCCCSc1[nH]cnc2c1ncn2
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.173g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
348.469g/mol
Monoisotopic Mass:
348.173g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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