2-[[(4-methylphenyl)-thiophen-2-yl-methyl]amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-[[(4-methylphenyl)-thiophen-2-yl-methyl]amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[[p-tolyl(2-thienyl)methyl]amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[[(4-methylphenyl)-thiophen-2-ylmethyl]amino]-1-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 2-[[(4-methylphenyl)-thiophen-2-ylmethyl]amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[[p-tolyl(2-thienyl)methyl]amino]-1-[4-(2-pyrimidyl)piperazino]ethanone Formula: C22H25N5OS MolecularWeight: 407.5318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC=CS2)NCC(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC1=CC=C(C=C1)C(C2=CC=CS2)NCC(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C22H25N5OS/c1-17-5-7-18(8-6-17)21(19-4-2-15-29-19)25-16-20(28)26-11-13-27(14-12-26)22-23-9-3-10-24-22/h2-10,15,21,25H,11-14,16H2,1H3