2-[4-(3,3-dimethylspiro[2-benzofuran-1,4'-cyclohexane]-1'-yl)piperazin-1-yl]-5-fluoranyl-pyrimidine; methanesulfonic acid

Systemtic Name: 2-[4-(3,3-dimethylspiro[2-benzofuran-1,4'-cyclohexane]-1'-yl)piperazin-1-yl]-5-fluoranyl-pyrimidine; methanesulfonic acid Openeye Name: 2-[4-(3',3'-dimethylspiro[cyclohexane-4,1'-isobenzofuran]-1-yl)piperazin-1-yl]-5-fluoro-pyrimidine; methanesulfonic acid CAS Name: 2-[4-(3',3'-dimethyl-1-spiro[cyclohexane-4,1'-isobenzofuran]yl)-1-piperazinyl]-5-fluoropyrimidine; methanesulfonic acid IUPAC Name: 2-[4-(3,3-dimethylspiro[2-benzofuran-1,4'-cyclohexane]-1'-yl)piperazin-1-yl]-5-fluoropyrimidine; methanesulfonic acid Traditional Name: 2-[4-(1',1'-dimethylspiro[cyclohexane-4,3'-phthalan]-1-yl)piperazino]-5-fluoro-pyrimidine; mesylic acid Formula: C24H33FN4O4S MolecularWeight: 492.606623

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2C3(O1)CCC(CC3)N4CCN(CC4)C5=NC=C(C=N5)F)C.CS(=O)(=O)O

Isomeric SMILES

CC1(C2=CC=CC=C2C3(O1)CCC(CC3)N4CCN(CC4)C5=NC=C(C=N5)F)C.CS(=O)(=O)O

InChI

InChI=1S/C23H29FN4O.CH4O3S/c1-22(2)19-5-3-4-6-20(19)23(29-22)9-7-18(8-10-23)27-11-13-28(14-12-27)21-25-15-17(24)16-26-21;1-5(2,3)4/h3-6,15-16,18H,7-14H2,1-2H3;1H3,(H,2,3,4)