| Properties | Image |
|---|
| MNX_ID | MNXM168902 |
 |
| reference | sabiorkM:25268 |
| formula | C17H19ClN5O4P |
| global charge | 0 |
| mol weight | 423.797 |
| InChIKey | GWNHAOBXDGOXRR-POXGOYDTSA-N |
| InChI | InChI=1S/C17H19ClN5O4P/c18-13-3-1-2-12(8-13)14-4-6-26-28(24,27-14)11-25-7-5-23-10-22-15-16(19)20-9-21-17(15)23/h1-3,8-10,14H,4-7,11H2,(H2,19,20,21)/t14-,28-/m0/s1 |
| SMILES | NC1=C2N=CN(CCOC[P@]3(=O)OCC[C@@H](C4=CC(Cl)=CC=C4)O3)C2=NC=N1 |
MNX internals
| InChI (mnx) | InChI=1/C17H19ClN5O4P/c18-13-3-1-2-12(8-13)14-4-6-26-28(24,27-14)11-25-7-5-23-10-22-15-16(19)20-9-21-17(15)23/h1-3,8-10,14H,4-7,11H2,(H2,19,20,21)/t14-,28-/m0/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][C:12]([C@@H:14]2[CH2:4][CH2:6][O:26][P@:28]([CH2:11][O:25][CH2:7][CH2:5][N:23]3[CH:10]=[N:22][C:15]4=[C:16]([NH2:19])[N:20]=[CH:9][N:21]=[C:17]43)(=[O:24])[O:27]2)=[CH:8][C:13]([Cl:18])=[CH:3]1 |
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