2-[4-chloranyl-6-(diethylamino)pyrimidin-2-yl]sulfanyl-1-[4-(2-ethoxyphenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[4-chloranyl-6-(diethylamino)pyrimidin-2-yl]sulfanyl-1-[4-(2-ethoxyphenyl)piperazin-1-yl]ethanone Openeye Name: 2-[4-chloro-6-(diethylamino)pyrimidin-2-yl]sulfanyl-1-[4-(2-ethoxyphenyl)piperazin-1-yl]ethanone CAS Name: 2-[[4-chloro-6-(diethylamino)-2-pyrimidinyl]thio]-1-[4-(2-ethoxyphenyl)-1-piperazinyl]ethanone IUPAC Name: 2-[4-chloro-6-(diethylamino)pyrimidin-2-yl]sulfanyl-1-[4-(2-ethoxyphenyl)piperazin-1-yl]ethanone Traditional Name: 2-[[4-chloro-6-(diethylamino)pyrimidin-2-yl]thio]-1-(4-o-phenetylpiperazino)ethanone Formula: C22H30ClN5O2S MolecularWeight: 464.0239

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=NC(=N1)SCC(=O)N2CCN(CC2)C3=CC=CC=C3OCC)Cl

Isomeric SMILES

CCN(CC)C1=CC(=NC(=N1)SCC(=O)N2CCN(CC2)C3=CC=CC=C3OCC)Cl

InChI

InChI=1S/C22H30ClN5O2S/c1-4-26(5-2)20-15-19(23)24-22(25-20)31-16-21(29)28-13-11-27(12-14-28)17-9-7-8-10-18(17)30-6-3/h7-10,15H,4-6,11-14,16H2,1-3H3