(1-cyclohexylpiperidin-4-yl)-(4-pyrimidin-2-ylsulfanylphenyl)methanone

Systemtic Name: (1-cyclohexylpiperidin-4-yl)-(4-pyrimidin-2-ylsulfanylphenyl)methanone Openeye Name: (1-cyclohexyl-4-piperidyl)-(4-pyrimidin-2-ylsulfanylphenyl)methanone CAS Name: (1-cyclohexyl-4-piperidinyl)-[4-(2-pyrimidinylthio)phenyl]methanone IUPAC Name: (1-cyclohexylpiperidin-4-yl)-(4-pyrimidin-2-ylsulfanylphenyl)methanone Traditional Name: (1-cyclohexyl-4-piperidyl)-[4-(2-pyrimidylthio)phenyl]methanone Formula: C22H27N3OS MolecularWeight: 381.53428

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CCC(CC2)C(=O)C3=CC=C(C=C3)SC4=NC=CC=N4

Isomeric SMILES

C1CCC(CC1)N2CCC(CC2)C(=O)C3=CC=C(C=C3)SC4=NC=CC=N4

InChI

InChI=1S/C22H27N3OS/c26-21(18-11-15-25(16-12-18)19-5-2-1-3-6-19)17-7-9-20(10-8-17)27-22-23-13-4-14-24-22/h4,7-10,13-14,18-19H,1-3,5-6,11-12,15-16H2