[4-[4-(4-tert-butylphenyl)pyrimidin-2-yl]piperazin-1-yl]-(2-methylsulfanylpyridin-3-yl)methanone

Systemtic Name: [4-[4-(4-tert-butylphenyl)pyrimidin-2-yl]piperazin-1-yl]-(2-methylsulfanylpyridin-3-yl)methanone Openeye Name: [4-[4-(4-tert-butylphenyl)pyrimidin-2-yl]piperazin-1-yl]-(2-methylsulfanyl-3-pyridyl)methanone CAS Name: [4-[4-(4-tert-butylphenyl)-2-pyrimidinyl]-1-piperazinyl]-[2-(methylthio)-3-pyridinyl]methanone IUPAC Name: [4-[4-(4-tert-butylphenyl)pyrimidin-2-yl]piperazin-1-yl]-(2-methylsulfanylpyridin-3-yl)methanone Traditional Name: [4-[4-(4-tert-butylphenyl)pyrimidin-2-yl]piperazino]-[2-(methylthio)-3-pyridyl]methanone Formula: C25H29N5OS MolecularWeight: 447.59566

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NC(=NC=C2)N3CCN(CC3)C(=O)C4=C(N=CC=C4)SC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NC(=NC=C2)N3CCN(CC3)C(=O)C4=C(N=CC=C4)SC

InChI

InChI=1S/C25H29N5OS/c1-25(2,3)19-9-7-18(8-10-19)21-11-13-27-24(28-21)30-16-14-29(15-17-30)23(31)20-6-5-12-26-22(20)32-4/h5-13H,14-17H2,1-4H3