1-[2-azanyl-4-ethyl-5-[4-(4-fluorophenyl)-1-methyl-benzimidazol-2-yl]-4H-pyrimidin-3-yl]piperidine-2-thione

Systemtic Name: 1-[2-azanyl-4-ethyl-5-[4-(4-fluorophenyl)-1-methyl-benzimidazol-2-yl]-4H-pyrimidin-3-yl]piperidine-2-thione Openeye Name: 1-[2-amino-4-ethyl-5-[4-(4-fluorophenyl)-1-methyl-benzimidazol-2-yl]-4H-pyrimidin-3-yl]piperidine-2-thione CAS Name: 1-[2-amino-4-ethyl-5-[4-(4-fluorophenyl)-1-methyl-2-benzimidazolyl]-4H-pyrimidin-3-yl]-2-piperidinethione IUPAC Name: 1-[2-amino-4-ethyl-5-[4-(4-fluorophenyl)-1-methylbenzimidazol-2-yl]-4H-pyrimidin-3-yl]piperidine-2-thione Traditional Name: 1-[2-amino-4-ethyl-5-[4-(4-fluorophenyl)-1-methyl-benzimidazol-2-yl]-4H-pyrimidin-3-yl]piperidine-2-thione Formula: C25H27FN6S MolecularWeight: 462.585483

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=CN=C(N1N2CCCCC2=S)N)C3=NC4=C(C=CC=C4N3C)C5=CC=C(C=C5)F

Isomeric SMILES

CCC1C(=CN=C(N1N2CCCCC2=S)N)C3=NC4=C(C=CC=C4N3C)C5=CC=C(C=C5)F

InChI

InChI=1S/C25H27FN6S/c1-3-20-19(15-28-25(27)32(20)31-14-5-4-9-22(31)33)24-29-23-18(7-6-8-21(23)30(24)2)16-10-12-17(26)13-11-16/h6-8,10-13,15,20H,3-5,9,14H2,1-2H3,(H2,27,28)