basic_info |
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Product_Name: | BENZYL 4-CHLORO-5,6,8,9-TETRAHYDROPYRIMIDO[4,5-D]AZEPINE-7-CARBOXYLATE |
CAS: | 1251001-37-2 |
EnglishSynonyms: | BENZYL 4-CHLORO-5H,6H,7H,8H,9H-PYRIMIDO[4,5-D]AZEPINE-7-CARBOXYLATE ; BENZYL 4-CHLORO-5,6,8,9-TETRAHYDROPYRIMIDO[4,5-D]AZEPINE-7-CARBOXYLATE ; 7H-PYRIMIDO[4,5-D]AZEPINE-7-CARBOXYLIC ACID, 4-CHLORO-5,6,8,9-TETRAHYDRO-, PHENYLMETHYL ESTER ; 4-CHLORO-5,6,8,9-TETRAHYDRO-PYRIMIDO[4,5-D]AZEPINE-7-CARBOXYLIC ACID BENZYL ESTER |
pro_mdlNumber: | MFCD11111521 |
pro_acceptors: | 5 |
pro_donors: | 0 |
pro_smile: | c1ccc(cc1)COC(=O)N2CCc3c(ncnc3Cl)CC2 |
InChi: | InChI=1S/C16H16ClN3O2/c17-15-13-6-8-20(9-7-14(13)18-11-19-15)16(21)22-10-12-4-2-1-3-5-12/h1-5,11H,6-10H2 |
InChiKey: | InChIKey=SCOCDDMKQDHYSW-UHFFFAOYSA-N |
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