tert-butyl 4-[4-(3-methylphenyl)-5-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazol-2-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-(3-methylphenyl)-5-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazol-2-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[5-(2-methylsulfanylpyrimidin-4-yl)-4-(m-tolyl)thiazol-2-yl]piperazine-1-carboxylate CAS Name: 4-[4-(3-methylphenyl)-5-[2-(methylthio)-4-pyrimidinyl]-2-thiazolyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(3-methylphenyl)-5-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazol-2-yl]piperazine-1-carboxylate Traditional Name: 4-[5-[2-(methylthio)pyrimidin-4-yl]-4-(m-tolyl)thiazol-2-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C24H29N5O2S2 MolecularWeight: 483.64936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=C(SC(=N2)N3CCN(CC3)C(=O)OC(C)(C)C)C4=NC(=NC=C4)SC

Isomeric SMILES

CC1=CC=CC(=C1)C2=C(SC(=N2)N3CCN(CC3)C(=O)OC(C)(C)C)C4=NC(=NC=C4)SC

InChI

InChI=1S/C24H29N5O2S2/c1-16-7-6-8-17(15-16)19-20(18-9-10-25-21(26-18)32-5)33-22(27-19)28-11-13-29(14-12-28)23(30)31-24(2,3)4/h6-10,15H,11-14H2,1-5H3