| Properties | Image |
|---|
| MNX_ID | MNXM1183876 |
 |
| reference | envipathM:...911a034fc13f |
| formula | C18H17N5O4 |
| global charge | -2 |
| mol weight | 367.365 |
| InChIKey | BIZQRMRSBGFVEJ-ZZDCKURDSA-L |
| InChI | InChI=1S/C18H19N5O4/c19-10-1-3-11(4-2-10)22-15-8-14(21)16(9-13(15)20)23-12(7-18(26)27)5-6-17(24)25/h1-7,9,14H,8,19-21H2,(H,24,25)(H,26,27)/p-2/b6-5-,12-7+,22-15?,23-16+ |
| SMILES | NC1=CC=C(N=C2CC(N)/C(=N/C(/C=C\C(=O)[O-])=C/C(=O)[O-])C=C2N)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C18H19N5O4/c19-10-1-3-11(4-2-10)22-15-8-14(21)16(9-13(15)20)23-12(7-18(26)27)5-6-17(24)25/h1-7,9,14H,8,19-21H2,(H,24,25)(H,26,27)/b6-5-,12-7+,22-15?,23-16+/t14? |
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| SMILES (mnx) | [CH:1]1=[CH:3][C:11]([N:22]=[C:15]2[CH2:8][CH:14]([NH2:21])/[C:16](=[N:23]/[C:12](/[CH:5]=[CH:6]\[C:17](=[O:24])[OH:25])=[CH:7]/[C:18](=[O:26])[OH:27])[CH:9]=[C:13]2[NH2:20])=[CH:4][CH:2]=[C:10]1[NH2:19] |
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