[4-[[4-chloranyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]phenyl]-morpholin-4-yl-methanone

Systemtic Name: [4-[[4-chloranyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]phenyl]-morpholin-4-yl-methanone Openeye Name: [4-[[4-chloro-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]phenyl]-morpholino-methanone CAS Name: [4-[[[4-chloro-6-(4-methyl-1-piperazinyl)-2-pyrimidinyl]thio]methyl]phenyl]-(4-morpholinyl)methanone IUPAC Name: [4-[[4-chloro-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]phenyl]-morpholin-4-ylmethanone Traditional Name: [4-[[[4-chloro-6-(4-methylpiperazino)pyrimidin-2-yl]thio]methyl]phenyl]-morpholino-methanone Formula: C21H26ClN5O2S MolecularWeight: 447.98144

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC(=NC(=N2)SCC3=CC=C(C=C3)C(=O)N4CCOCC4)Cl

Isomeric SMILES

CN1CCN(CC1)C2=CC(=NC(=N2)SCC3=CC=C(C=C3)C(=O)N4CCOCC4)Cl

InChI

InChI=1S/C21H26ClN5O2S/c1-25-6-8-26(9-7-25)19-14-18(22)23-21(24-19)30-15-16-2-4-17(5-3-16)20(28)27-10-12-29-13-11-27/h2-5,14H,6-13,15H2,1H3