Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L7V1OM
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| Ligand 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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| Synonyms |
CHEMBL2178718; 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; BDBM50398693; J3.604.700C; Q27456153; 1,2,3,4,4abeta,5,7,7abeta-Octahydro-2-imino-3-methyl-4-oxo-6-(5-fluoropyrimidine-2-yl)-7a-[4-(3-cyanophenyl)thiophene-2-yl]-6H-pyrrolo[3,4-d]pyrimidine; 60Y
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| Structure |
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Download2D MOL |
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| Formula |
C22H18FN7OS
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| Canonical SMILES |
CN1C(=O)C2CN(CC2(N=C1N)C3=CC(=CS3)C4=CC=CC(=C4)C#N)C5=NC=C(C=N5)F
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| 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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| PubChem Compound ID | ||||
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