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102587-84-8 | Benzamide, 4-(2,3,6,9-tetrahydro-2,6-dioxo-1,3-dipropyl-1H-purin-8-yl)-
CAS No: 102587-84-8 Catalog No: AG0007U6 MDL No:
Product Description
Catalog Number:
AG0007U6
Chemical Name:
Benzamide, 4-(2,3,6,9-tetrahydro-2,6-dioxo-1,3-dipropyl-1H-purin-8-yl)-
CAS Number:
102587-84-8
Molecular Formula:
C18H21N5O3
Molecular Weight:
355.3910
IUPAC Name:
4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)benzamide
InChI:
InChI=1S/C18H21N5O3/c1-3-9-22-16-13(17(25)23(10-4-2)18(22)26)20-15(21-16)12-7-5-11(6-8-12)14(19)24/h5-8H,3-4,9-10H2,1-2H3,(H2,19,24)(H,20,21)
InChI Key:
OSNDCSGQAUQGAK-UHFFFAOYSA-N
SMILES:
CCCn1c2[nH]c(nc2c(=O)n(c1=O)CCC)c1ccc(cc1)C(=O)N
Properties
Complexity:
561
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.164g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
355.398g/mol
Monoisotopic Mass:
355.164g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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