| Properties | Image |
|---|
| MNX_ID | MNXM1191523 |
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| reference | envipathM:...06c87f9aadbb |
| formula | C19H22FN2O5PS |
| global charge | 0 |
| mol weight | 440.433 |
| InChIKey | UUGJQRPJSWONAE-UHFFFAOYSA-N |
| InChI | InChI=1S/C19H22FN2O5PS/c1-4-26-28(25,27-5-2)18(12-8-6-7-9-13(12)20)22-19-21-15-11(3)10-14(23)16(24)17(15)29-19/h6-10,18,23-24H,4-5H2,1-3H3,(H,21,22) |
| SMILES | CCOP(=O)(OCC)C(NC1=NC2=C(S1)C(O)=C(O)C=C2C)C1=C(F)C=CC=C1 |
MNX internals
| InChI (mnx) | InChI=1/C19H22FN2O5PS/c1-4-26-28(25,27-5-2)18(12-8-6-7-9-13(12)20)22-19-21-15-11(3)10-14(23)16(24)17(15)29-19/h6-10,18,23-24H,4-5H2,1-3H3,(H,21,22)/t18? |
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| SMILES (mnx) | [CH3:1][CH2:4][O:26][P:28]([CH:18]([C:12]1=[CH:8][CH:6]=[CH:7][CH:9]=[C:13]1[F:20])[NH:22][C:19]1=[N:21][C:15]2=[C:17]([C:16]([OH:24])=[C:14]([OH:23])[CH:10]=[C:11]2[CH3:3])[S:29]1)(=[O:25])[O:27][CH2:5][CH3:2] |
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