2-(4-propan-2-ylsulfanylphenyl)-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone

Systemtic Name: 2-(4-propan-2-ylsulfanylphenyl)-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone Openeye Name: 2-(4-isopropylsulfanylphenyl)-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone CAS Name: 2-[4-(propan-2-ylthio)phenyl]-1-[4-[6-(1-pyrrolidinyl)-4-pyrimidinyl]-1-piperazinyl]ethanone IUPAC Name: 2-(4-propan-2-ylsulfanylphenyl)-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone Traditional Name: 2-[4-(isopropylthio)phenyl]-1-[4-(6-pyrrolidinopyrimidin-4-yl)piperazino]ethanone Formula: C23H31N5OS MolecularWeight: 425.59014

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=CC=C(C=C1)CC(=O)N2CCN(CC2)C3=NC=NC(=C3)N4CCCC4

Isomeric SMILES

CC(C)SC1=CC=C(C=C1)CC(=O)N2CCN(CC2)C3=NC=NC(=C3)N4CCCC4

InChI

InChI=1S/C23H31N5OS/c1-18(2)30-20-7-5-19(6-8-20)15-23(29)28-13-11-27(12-14-28)22-16-21(24-17-25-22)26-9-3-4-10-26/h5-8,16-18H,3-4,9-15H2,1-2H3