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303973-87-7 | 1H-Purine-2,6-dione, 8-amino-7-(2-buten-1-yl)-3,7-dihydro-3-methyl-
CAS No: 303973-87-7 Catalog No: AG002ZZ4 MDL No:MFCD03818216
Product Description
Catalog Number:
AG002ZZ4
Chemical Name:
1H-Purine-2,6-dione, 8-amino-7-(2-buten-1-yl)-3,7-dihydro-3-methyl-
CAS Number:
303973-87-7
Molecular Formula:
C10H13N5O2
Molecular Weight:
235.2425
MDL Number:
MFCD03818216
IUPAC Name:
8-amino-7-[(E)-but-2-enyl]-3-methylpurine-2,6-dione
InChI:
InChI=1S/C10H13N5O2/c1-3-4-5-15-6-7(12-9(15)11)14(2)10(17)13-8(6)16/h3-4H,5H2,1-2H3,(H2,11,12)(H,13,16,17)/b4-3+
InChI Key:
JTLJRBWKPRBBGP-ONEGZZNKSA-N
SMILES:
CC=CCn1c(N)nc2c1c(=O)[nH]c(=O)n2C
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
235.107g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
235.247g/mol
Monoisotopic Mass:
235.107g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
93.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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