2-[4-chloranyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N,N-diethyl-ethanamide

Systemtic Name: 2-[4-chloranyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N,N-diethyl-ethanamide Openeye Name: 2-[4-chloro-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N,N-diethyl-acetamide CAS Name: 2-[[4-chloro-6-[4-(4-methoxyphenyl)-1-piperazinyl]-2-pyrimidinyl]thio]-N,N-diethylacetamide IUPAC Name: 2-[4-chloro-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N,N-diethylacetamide Traditional Name: 2-[[4-chloro-6-[4-(4-methoxyphenyl)piperazino]pyrimidin-2-yl]thio]-N,N-diethyl-acetamide Formula: C21H28ClN5O2S MolecularWeight: 449.99732

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CSC1=NC(=CC(=N1)Cl)N2CCN(CC2)C3=CC=C(C=C3)OC

Isomeric SMILES

CCN(CC)C(=O)CSC1=NC(=CC(=N1)Cl)N2CCN(CC2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H28ClN5O2S/c1-4-25(5-2)20(28)15-30-21-23-18(22)14-19(24-21)27-12-10-26(11-13-27)16-6-8-17(29-3)9-7-16/h6-9,14H,4-5,10-13,15H2,1-3H3