basic_info |
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| Product_Name: | 6,7,8,9-TETRAHYDRO-3H-PYRIMIDO[4,5-D]AZEPIN-4(5H)-ONE |
| CAS: | 46001-09-6 |
| EnglishSynonyms: | 6,7,8,9-TETRAHYDRO-3H-PYRIMIDO[4,5-D]AZEPIN-4(5H)-ONE ; 3,5,6,7,8,9-HEXAHYDRO-4H-PYRIMIDO[4,5-D]AZEPIN-4-ONE ; 4H-PYRIMIDO[4,5-D]AZEPIN-4-ONE, 3,5,6,7,8,9-HEXAHYDRO- ; 3H,4H,5H,6H,7H,8H,9H-PYRIMIDO[4,5-D]AZEPIN-4-ONE |
| pro_mdlNumber: | MFCD12755767 |
| pro_acceptors: | 4 |
| pro_donors: | 2 |
| pro_smile: | c1[nH]c(=O)c2c(n1)CCNCC2 |
| InChi: | InChI=1S/C8H11N3O/c12-8-6-1-3-9-4-2-7(6)10-5-11-8/h5,9H,1-4H2,(H,10,11,12) |
| InChiKey: | InChIKey=IQNFPZIIHKFPMG-UHFFFAOYSA-N |
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