2-(4-ethoxyphenyl)sulfanyl-1-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]ethanone

Systemtic Name: 2-(4-ethoxyphenyl)sulfanyl-1-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]ethanone Openeye Name: 2-(4-ethoxyphenyl)sulfanyl-1-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-yl]ethanone CAS Name: 2-[(4-ethoxyphenyl)thio]-1-[4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 2-(4-ethoxyphenyl)sulfanyl-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethanone Traditional Name: 1-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazino]-2-(p-phenetylthio)ethanone Formula: C22H30N4O2S MolecularWeight: 414.5642

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)SCC(=O)N2CCN(CC2)C3=NC(=NC(=C3)C)C(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)SCC(=O)N2CCN(CC2)C3=NC(=NC(=C3)C)C(C)C

InChI

InChI=1S/C22H30N4O2S/c1-5-28-18-6-8-19(9-7-18)29-15-21(27)26-12-10-25(11-13-26)20-14-17(4)23-22(24-20)16(2)3/h6-9,14,16H,5,10-13,15H2,1-4H3