SpectraBase Compound ID | 7lIwrKgyWi4 |
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InChI | InChI=1S/C26H40N6O4S2Si/c1-7-9-21-23-24(30(3)29-21)26(37)28-25(27-23)20-18-19(10-11-22(20)35-8-2)38(33,34)32-14-12-31(13-15-32)16-17-36-39(4,5)6/h10-11,18H,7-9,12-17H2,1-6H3,(H,27,28,37) |
InChIKey | VCQLLRKCJZQKMQ-UHFFFAOYSA-N |
Mol Weight | 592.8 g/mol |
Molecular Formula | C26H40N6O4S2Si |
Exact Mass | 592.232173 g/mol |
SpectraBase Spectrum ID | 8Wq4GQXWTjI |
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Name | Hydroxythiohomosildenafil tms |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 592.232172671 u |
Formula | C26H40N6O4S2Si |
InChI | InChI=1S/C26H40N6O4S2Si/c1-7-9-21-23-24(30(3)29-21)26(37)28-25(27-23)20-18-19(10-11-22(20)35-8-2)38(33,34)32-14-12-31(13-15-32)16-17-36-39(4,5)6/h10-11,18H,7-9,12-17H2,1-6H3,(H,27,28,37) |
InChIKey | VCQLLRKCJZQKMQ-UHFFFAOYSA-N |
Molecular Weight | 592.849 g/mol |
SMILES | C12=C(N=C(C=3C(=CC=C(S(N4CCN(CC4)CCO[Si](C)(C)C)(=O)=O)C3)OCC)NC1=S)C(=NN2C)CCC |