| Properties | Image |
MNX_ID | MNXM107473 |
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reference | keggD:D08317 |
formula | C14H22N3O5P |
global charge | 0 |
mol weight | 343.32 |
InChIKey | PSCWWFOVTFSDGZ-UHFFFAOYSA-N |
InChI | InChI=1S/C14H19N3O.H3O4P/c1-3-17(4-2)11-10-13-15-14(16-18-13)12-8-6-5-7-9-12;1-5(2,3)4/h5-9H,3-4,10-11H2,1-2H3;(H3,1,2,3,4) |
SMILES | CCN(CC)CCC1=NC(C2=CC=CC=C2)=NO1.O=P(O)(O)O |
MNX internals
InChI (mnx) | InChI=1/C14H19N3O.H3O4P/c1-3-17(4-2)11-10-13-15-14(16-18-13)12-8-6-5-7-9-12;1-5(2,3)4/h5-9H,3-4,10-11H2,1-2H3;(H3,1,2,3,4) |
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SMILES (mnx) | [CH3:1][CH2:3][N:17]([CH2:4][CH3:2])[CH2:11][CH2:10][C:13]1=[N:15][C:14]([C:12]2=[CH:8][CH:6]=[CH:5][CH:7]=[CH:9]2)=[N:16][O:18]1.[OH:19][P:23]([OH:20])([OH:21])=[O:22] |
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