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70454-28-3 | N-(4-(1,2,3,6-TETRAHYDRO-1,3-DIMETHYL-2,6-DIOXO-7H-PURIN-7-YL)BUTYL)-3-PYRIDINECARBOXAMIDE
CAS No: 70454-28-3 Catalog No: AG005IW8 MDL No:
Product Description
Catalog Number:
AG005IW8
Chemical Name:
N-(4-(1,2,3,6-TETRAHYDRO-1,3-DIMETHYL-2,6-DIOXO-7H-PURIN-7-YL)BUTYL)-3-PYRIDINECARBOXAMIDE
CAS Number:
70454-28-3
Molecular Formula:
C17H20N6O3
Molecular Weight:
356.3791
IUPAC Name:
N-[4-(1,3-dimethyl-2,6-dioxopurin-7-yl)butyl]pyridine-3-carboxamide
InChI:
InChI=1S/C17H20N6O3/c1-21-14-13(16(25)22(2)17(21)26)23(11-20-14)9-4-3-8-19-15(24)12-6-5-7-18-10-12/h5-7,10-11H,3-4,8-9H2,1-2H3,(H,19,24)
InChI Key:
PQFORKCZVGBPFW-UHFFFAOYSA-N
SMILES:
O=C(c1cccnc1)NCCCCn1cnc2c1c(=O)n(C)c(=O)n2C
Properties
Complexity:
557
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
356.16g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
356.386g/mol
Monoisotopic Mass:
356.16g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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