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

Systemtic Name: 2-[[(R)-(4-ethylphenyl)-thiophen-2-yl-methyl]amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[[(R)-(4-ethylphenyl)-(2-thienyl)methyl]amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]-1-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 2-[[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[[(R)-(4-ethylphenyl)-(2-thienyl)methyl]amino]-1-[4-(2-pyrimidyl)piperazino]ethanone Formula: C23H27N5OS MolecularWeight: 421.55838

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C2=CC=CS2)NCC(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CCC1=CC=C(C=C1)[C@H](C2=CC=CS2)NCC(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C23H27N5OS/c1-2-18-6-8-19(9-7-18)22(20-5-3-16-30-20)26-17-21(29)27-12-14-28(15-13-27)23-24-10-4-11-25-23/h3-11,16,22,26H,2,12-15,17H2,1H3/t22-/m1/s1