Mol:
17795-21-0.mol by:chem960.com
ChemDraw08031019472D
…………
3 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1.3597 0.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 0.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0
6.1723 2.4205 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
5 1 1 0 0 0 0
5 6 2 0 0 0 0
6 7 1 0 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 4 2 0 0 0 0
9 10 1 0 0 0 0
M CHG 1 10 -1
M CHG 1 11 1
M END
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别嘌醇钠 MDL: MFCD12965022
别嘌醇钠 InChIKey: PTJRZVJXXNYNLN-UHFFFAOYSA-M
别嘌醇钠 Inchi: InChI=1S/C5H4N4O.Na/c10-5-3-1-8-9-4(3)6-2-7-5;/h1-2H,(H2,6,7,8,9,10);/q;+1/p-1
别嘌醇钠 SMILES: C1=C2C(=NN1)N=CN=C2[O-].[Na+]