| Properties | Image |
MNX_ID | MNXM340913 |
 |
reference | chebi:122187 |
formula | C20H27N7O4 |
global charge | 0 |
mol weight | 429.481 |
InChIKey | BRQNSFXYPFYKKF-UHFFFAOYSA-N |
InChI | InChI=1S/C20H27N7O4/c28-19(22-16-4-2-1-3-5-16)21-6-11-31-20-24-17(26-7-12-29-13-8-26)23-18(25-20)27-9-14-30-15-10-27/h1-5H,6-15H2,(H2,21,22,28) |
SMILES | O=C(NCCOC1=NC(N2CCOCC2)=NC(N2CCOCC2)=N1)NC1=CC=CC=C1 |
MNX internals
InChI (mnx) | InChI=1/C20H27N7O4/c28-19(22-16-4-2-1-3-5-16)21-6-11-31-20-24-17(26-7-12-29-13-8-26)23-18(25-20)27-9-14-30-15-10-27/h1-5H,6-15H2,(H2,21,22,28) |
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SMILES (mnx) | [CH:1]1=[CH:2][CH:4]=[C:16]([NH:22][C:19](=[N:21][CH2:6][CH2:11][O:31][C:20]2=[N:24][C:17]([N:26]3[CH2:7][CH2:12][O:29][CH2:13][CH2:8]3)=[N:23][C:18]([N:27]3[CH2:9][CH2:14][O:30][CH2:15][CH2:10]3)=[N:25]2)[OH:28])[CH:5]=[CH:3]1 |
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