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102367-56-6 | 1H-Purine-2,6-dione, 7-[(4,4-dimethyl-4H-1,3-benzothiazin-2-yl)methyl]-3,7-dihydro-1,3-dimethyl-
CAS No: 102367-56-6 Catalog No: AG0007AJ MDL No:
Product Description
Catalog Number:
AG0007AJ
Chemical Name:
1H-Purine-2,6-dione, 7-[(4,4-dimethyl-4H-1,3-benzothiazin-2-yl)methyl]-3,7-dihydro-1,3-dimethyl-
CAS Number:
102367-56-6
Molecular Formula:
C18H19N5O2S
Molecular Weight:
369.4408
IUPAC Name:
7-[(4,4-dimethyl-1,3-benzothiazin-2-yl)methyl]-1,3-dimethylpurine-2,6-dione
InChI:
InChI=1S/C18H19N5O2S/c1-18(2)11-7-5-6-8-12(11)26-13(20-18)9-23-10-19-15-14(23)16(24)22(4)17(25)21(15)3/h5-8,10H,9H2,1-4H3
InChI Key:
JVIWJZINHSAZGE-UHFFFAOYSA-N
SMILES:
Cn1c(=O)n(C)c2c(c1=O)n(cn2)CC1=NC(c2c(S1)cccc2)(C)C
Properties
Complexity:
652
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
369.126g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
369.443g/mol
Monoisotopic Mass:
369.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
96.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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