Chemical Component Summary |
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| Name | 3-{5-[(2E,4aR,7aR)-6-(5-fluoropyrimidin-2-yl)-2-imino-3-methyl-4-oxooctahydro-7aH-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-3-yl}benzonitrile |
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| Identifiers | 3-[5-[(4~{a}~{R},7~{a}~{R})-2-azanylidene-6-(5-fluoranylpyrimidin-2-yl)-3-methyl-4-oxidanylidene-1,4~{a},5,7-tetrahydropyrrolo[3,4-d]pyrimidin-7~{a}-yl]thiophen-3-yl]benzenecarbonitrile |
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| Formula | C22 H18 F N7 O S |
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| Molecular Weight | 447.488 |
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| Type | NON-POLYMER |
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| Isomeric SMILES | [H]/N=C/1\N[C@]2(CN(C[C@H]2C(=O)N1C)c3ncc(cn3)F)c4cc(cs4)c5cccc(c5)C#N |
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| InChI | InChI=1S/C22H18FN7OS/c1-29-19(31)17-10-30(21-26-8-16(23)9-27-21)12-22(17,28-20(29)25)18-6-15(11-32-18)14-4-2-3-13(5-14)7-24/h2-6,8-9,11,17H,10,12H2,1H3,(H2,25,28)/t17-,22-/m0/s1 |
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| InChIKey | PTLJUNIICOHEHE-JTSKRJEESA-N |
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