1H-PURINE-2,6-DIONE,3-ETHYL-3,7-DIHYDRO-1-PROPYL-8-[1-[[6-(TRIFLUOROMETHYL)-3-PYRIDINYL]METHYL]-1H-PYRAZOL-4-YL]-

CAS No.
631914-03-9
CCD No.
CCD08284013
Formula
C20 H20 F3 N7 O2
MolWeight
447.419

Basic Information

Product Name: 1H-PURINE-2,6-DIONE,3-ETHYL-3,7-DIHYDRO-1-PROPYL-8-[1-[[6-(TRIFLUOROMETHYL)-3-PYRIDINYL]METHYL]-1H-PYRAZOL-4-YL]-
CAS: 631914-03-9
English Synonyms: 1H-PURINE-2,6-DIONE,3-ETHYL-3,7-DIHYDRO-1-PROPYL-8-[1-[[6-(TRIFLUOROMETHYL)-3-PYRIDINYL]METHYL]-1H-PYRAZOL-4-YL]-
MDL Number.: MFCD23380615
H bond acceptor: 9
H bond donor: 1
Smile: CCCn1c(=O)c2c(nc([nH]2)c3cnn(c3)Cc4ccc(nc4)C(F)(F)F)n(c1=O)CC
InChi: InChI=1S/C20H20F3N7O2/c1-3-7-30-18(31)15-17(29(4-2)19(30)32)27-16(26-15)13-9-25-28(11-13)10-12-5-6-14(24-8-12)20(21,22)23/h5-6,8-9,11H,3-4,7,10H2,1-2H3,(H,26,27)
InChiKey: InChIKey=TXEFUDYEMBGBMN-UHFFFAOYSA-N

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