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

Systemtic Name: 2-[4-[4-(4-tert-butylphenyl)carbonyl-3-methyl-piperazin-1-yl]-6-chloranyl-pyrimidin-2-yl]sulfanyl-N-(2-morpholin-4-ylethyl)ethanamide Openeye Name: 2-[4-[4-(4-tert-butylbenzoyl)-3-methyl-piperazin-1-yl]-6-chloro-pyrimidin-2-yl]sulfanyl-N-(2-morpholinoethyl)acetamide CAS Name: 2-[[4-[4-[(4-tert-butylphenyl)-oxomethyl]-3-methyl-1-piperazinyl]-6-chloro-2-pyrimidinyl]thio]-N-[2-(4-morpholinyl)ethyl]acetamide IUPAC Name: 2-[4-[4-(4-tert-butylbenzoyl)-3-methylpiperazin-1-yl]-6-chloropyrimidin-2-yl]sulfanyl-N-(2-morpholin-4-ylethyl)acetamide Traditional Name: 2-[[4-[4-(4-tert-butylbenzoyl)-3-methyl-piperazino]-6-chloro-pyrimidin-2-yl]thio]-N-(2-morpholinoethyl)acetamide Formula: C28H39ClN6O3S MolecularWeight: 575.16566

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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)NCCN4CCOCC4)Cl

Isomeric SMILES

CC1CN(CCN1C(=O)C2=CC=C(C=C2)C(C)(C)C)C3=CC(=NC(=N3)SCC(=O)NCCN4CCOCC4)Cl

InChI

InChI=1S/C28H39ClN6O3S/c1-20-18-34(11-12-35(20)26(37)21-5-7-22(8-6-21)28(2,3)4)24-17-23(29)31-27(32-24)39-19-25(36)30-9-10-33-13-15-38-16-14-33/h5-8,17,20H,9-16,18-19H2,1-4H3,(H,30,36)