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88338-93-6 | 7H-Purine-7-pentanenitrile, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-
CAS No: 88338-93-6 Catalog No: AG0046WP MDL No:
Product Description
Catalog Number:
AG0046WP
Chemical Name:
7H-Purine-7-pentanenitrile, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-
CAS Number:
88338-93-6
Molecular Formula:
C12H15N5O2
Molecular Weight:
261.2798
IUPAC Name:
5-(1,3-dimethyl-2,6-dioxopurin-7-yl)pentanenitrile
InChI:
InChI=1S/C12H15N5O2/c1-15-10-9(11(18)16(2)12(15)19)17(8-14-10)7-5-3-4-6-13/h8H,3-5,7H2,1-2H3
InChI Key:
LIJNGIWGUULMKT-UHFFFAOYSA-N
SMILES:
N#CCCCCn1cnc2c1c(=O)n(C)c(=O)n2C
Properties
Complexity:
429
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.123g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.285g/mol
Monoisotopic Mass:
261.123g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
82.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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