2-[4-chloranyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-1-morpholin-4-yl-ethanone

Systemtic Name: 2-[4-chloranyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-1-morpholin-4-yl-ethanone Openeye Name: 2-[4-chloro-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-1-morpholino-ethanone CAS Name: 2-[[4-chloro-6-[4-(4-methoxyphenyl)-1-piperazinyl]-2-pyrimidinyl]thio]-1-(4-morpholinyl)ethanone IUPAC Name: 2-[4-chloro-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-1-morpholin-4-ylethanone Traditional Name: 2-[[4-chloro-6-[4-(4-methoxyphenyl)piperazino]pyrimidin-2-yl]thio]-1-morpholino-ethanone Formula: C21H26ClN5O3S MolecularWeight: 463.98084

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C3=CC(=NC(=N3)SCC(=O)N4CCOCC4)Cl

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C3=CC(=NC(=N3)SCC(=O)N4CCOCC4)Cl

InChI

InChI=1S/C21H26ClN5O3S/c1-29-17-4-2-16(3-5-17)25-6-8-26(9-7-25)19-14-18(22)23-21(24-19)31-15-20(28)27-10-12-30-13-11-27/h2-5,14H,6-13,15H2,1H3