2-[4-[4-(4-tert-butylphenyl)carbonyl-3-methyl-piperazin-1-yl]-6-chloranyl-pyrimidin-2-yl]sulfanyl-1-morpholin-4-yl-ethanone

Systemtic Name: 2-[4-[4-(4-tert-butylphenyl)carbonyl-3-methyl-piperazin-1-yl]-6-chloranyl-pyrimidin-2-yl]sulfanyl-1-morpholin-4-yl-ethanone Openeye Name: 2-[4-[4-(4-tert-butylbenzoyl)-3-methyl-piperazin-1-yl]-6-chloro-pyrimidin-2-yl]sulfanyl-1-morpholino-ethanone CAS Name: 2-[[4-[4-[(4-tert-butylphenyl)-oxomethyl]-3-methyl-1-piperazinyl]-6-chloro-2-pyrimidinyl]thio]-1-(4-morpholinyl)ethanone IUPAC Name: 2-[4-[4-(4-tert-butylbenzoyl)-3-methylpiperazin-1-yl]-6-chloropyrimidin-2-yl]sulfanyl-1-morpholin-4-ylethanone Traditional Name: 2-[[4-[4-(4-tert-butylbenzoyl)-3-methyl-piperazino]-6-chloro-pyrimidin-2-yl]thio]-1-morpholino-ethanone Formula: C26H34ClN5O3S MolecularWeight: 532.09786

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2=CC=C(C=C2)C(C)(C)C)C3=CC(=NC(=N3)SCC(=O)N4CCOCC4)Cl

Isomeric SMILES

CC1CN(CCN1C(=O)C2=CC=C(C=C2)C(C)(C)C)C3=CC(=NC(=N3)SCC(=O)N4CCOCC4)Cl

InChI

InChI=1S/C26H34ClN5O3S/c1-18-16-31(9-10-32(18)24(34)19-5-7-20(8-6-19)26(2,3)4)22-15-21(27)28-25(29-22)36-17-23(33)30-11-13-35-14-12-30/h5-8,15,18H,9-14,16-17H2,1-4H3