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14133-17-6 | Carbamic acid, butyl-, [6-(propylthio)-9H-purin-9-yl]methyl ester (8CI)
CAS No: 14133-17-6 Catalog No: AG001G8N MDL No:
Product Description
Catalog Number:
AG001G8N
Chemical Name:
Carbamic acid, butyl-, [6-(propylthio)-9H-purin-9-yl]methyl ester (8CI)
CAS Number:
14133-17-6
Molecular Formula:
C14H21N5O2S
Molecular Weight:
323.4138
IUPAC Name:
(6-propylsulfanylpurin-9-yl)methyl N-butylcarbamate
InChI:
InChI=1S/C14H21N5O2S/c1-3-5-6-15-14(20)21-10-19-9-18-11-12(19)16-8-17-13(11)22-7-4-2/h8-9H,3-7,10H2,1-2H3,(H,15,20)
InChI Key:
ONBGMWLHMNYGKS-UHFFFAOYSA-N
SMILES:
CCCCNC(=O)OCn1cnc2c1ncnc2SCCC
NSC Number:
99931
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.142g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
323.415g/mol
Monoisotopic Mass:
323.142g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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