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102613-61-6 | Benzamide, 4-(aminosulfonyl)-N-(6-amino-1,2,3,4-tetrahydro-2,4-dioxo-1,3-dipropyl-5-pyrimidinyl)-
CAS No: 102613-61-6 Catalog No: AG0007XV MDL No:
Product Description
Catalog Number:
AG0007XV
Chemical Name:
Benzamide, 4-(aminosulfonyl)-N-(6-amino-1,2,3,4-tetrahydro-2,4-dioxo-1,3-dipropyl-5-pyrimidinyl)-
CAS Number:
102613-61-6
Molecular Formula:
C17H23N5O5S
Molecular Weight:
409.4600
IUPAC Name:
N-(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)-4-sulfamoylbenzamide
InChI:
InChI=1S/C17H23N5O5S/c1-3-9-21-14(18)13(16(24)22(10-4-2)17(21)25)20-15(23)11-5-7-12(8-6-11)28(19,26)27/h5-8H,3-4,9-10,18H2,1-2H3,(H,20,23)(H2,19,26,27)
InChI Key:
NQSAGUVTTWOEOS-UHFFFAOYSA-N
SMILES:
CCCn1c(N)c(NC(=O)c2ccc(cc2)S(=O)(=O)N)c(=O)n(c1=O)CCC
Properties
Complexity:
765
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
409.142g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
409.461g/mol
Monoisotopic Mass:
409.142g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
164A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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