| Properties | Image |
MNX_ID | MNXM477839 |
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reference | chebi:120917 |
formula | C16H16N4O3S |
global charge | 0 |
mol weight | 344.396 |
InChIKey | VPVUPMJTXCFVSR-UHFFFAOYSA-N |
InChI | InChI=1S/C16H16N4O3S/c1-11-8-14(19-23-11)18-15(21)10-24-16-17-6-7-20(16)12-4-3-5-13(9-12)22-2/h3-9H,10H2,1-2H3,(H,18,19,21) |
SMILES | COC1=CC=CC(N2C=CN=C2SCC(=O)NC2=NOC(C)=C2)=C1 |
MNX internals
InChI (mnx) | InChI=1/C16H16N4O3S/c1-11-8-14(19-23-11)18-15(21)10-24-16-17-6-7-20(16)12-4-3-5-13(9-12)22-2/h3-9H,10H2,1-2H3,(H,18,19,21) |
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SMILES (mnx) | [CH3:1][C:11]1=[CH:8][C:14](=[N:18][C:15]([CH2:10][S:24][C:16]2=[N:17][CH:6]=[CH:7][N:20]2[C:12]2=[CH:9][C:13]([O:22][CH3:2])=[CH:5][CH:3]=[CH:4]2)=[O:21])[NH:19][O:23]1 |
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