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

Systemtic Name: 2-[4-chloranyl-6-(diethylamino)pyrimidin-2-yl]sulfanyl-1-[4-(phenylmethyl)piperazin-1-yl]ethanone Openeye Name: 1-(4-benzylpiperazin-1-yl)-2-[4-chloro-6-(diethylamino)pyrimidin-2-yl]sulfanyl-ethanone CAS Name: 2-[[4-chloro-6-(diethylamino)-2-pyrimidinyl]thio]-1-[4-(phenylmethyl)-1-piperazinyl]ethanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-2-[4-chloro-6-(diethylamino)pyrimidin-2-yl]sulfanylethanone Traditional Name: 1-(4-benzylpiperazino)-2-[[4-chloro-6-(diethylamino)pyrimidin-2-yl]thio]ethanone Formula: C21H28ClN5OS MolecularWeight: 433.99792

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=NC(=N1)SCC(=O)N2CCN(CC2)CC3=CC=CC=C3)Cl

Isomeric SMILES

CCN(CC)C1=CC(=NC(=N1)SCC(=O)N2CCN(CC2)CC3=CC=CC=C3)Cl

InChI

InChI=1S/C21H28ClN5OS/c1-3-26(4-2)19-14-18(22)23-21(24-19)29-16-20(28)27-12-10-25(11-13-27)15-17-8-6-5-7-9-17/h5-9,14H,3-4,10-13,15-16H2,1-2H3