[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: [2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: [2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: [2-[(3,5-dimethyl-4-isoxazolyl)methylthio]phenyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: [2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: [2-[(3,5-dimethylisoxazol-4-yl)methylthio]phenyl]-[4-(2-pyrimidyl)piperazino]methanone Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSC2=CC=CC=C2C(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC1=C(C(=NO1)C)CSC2=CC=CC=C2C(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C21H23N5O2S/c1-15-18(16(2)28-24-15)14-29-19-7-4-3-6-17(19)20(27)25-10-12-26(13-11-25)21-22-8-5-9-23-21/h3-9H,10-14H2,1-2H3