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

Systemtic Name: 2-[4-[4-(4-tert-butylphenyl)carbonyl-3-methyl-piperazin-1-yl]-6-chloranyl-pyrimidin-2-yl]sulfanyl-N-(furan-2-ylmethyl)ethanamide Openeye Name: 2-[4-[4-(4-tert-butylbenzoyl)-3-methyl-piperazin-1-yl]-6-chloro-pyrimidin-2-yl]sulfanyl-N-(2-furylmethyl)acetamide CAS Name: 2-[[4-[4-[(4-tert-butylphenyl)-oxomethyl]-3-methyl-1-piperazinyl]-6-chloro-2-pyrimidinyl]thio]-N-(2-furanylmethyl)acetamide IUPAC Name: 2-[4-[4-(4-tert-butylbenzoyl)-3-methylpiperazin-1-yl]-6-chloropyrimidin-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide Traditional Name: 2-[[4-[4-(4-tert-butylbenzoyl)-3-methyl-piperazino]-6-chloro-pyrimidin-2-yl]thio]-N-(2-furfuryl)acetamide Formula: C27H32ClN5O3S MolecularWeight: 542.09268

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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)NCC4=CC=CO4)Cl

Isomeric SMILES

CC1CN(CCN1C(=O)C2=CC=C(C=C2)C(C)(C)C)C3=CC(=NC(=N3)SCC(=O)NCC4=CC=CO4)Cl

InChI

InChI=1S/C27H32ClN5O3S/c1-18-16-32(11-12-33(18)25(35)19-7-9-20(10-8-19)27(2,3)4)23-14-22(28)30-26(31-23)37-17-24(34)29-15-21-6-5-13-36-21/h5-10,13-14,18H,11-12,15-17H2,1-4H3,(H,29,34)