methyl 3-[[5-[[4-tert-butyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]furan-2-yl]carbonylamino]benzoate

Systemtic Name: methyl 3-[[5-[[4-tert-butyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]furan-2-yl]carbonylamino]benzoate Openeye Name: methyl 3-[[5-[[4-tert-butyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]furan-2-carbonyl]amino]benzoate CAS Name: 3-[[[5-[[[4-tert-butyl-6-(4-ethyl-1-piperazinyl)-2-pyrimidinyl]thio]methyl]-2-furanyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[5-[[4-tert-butyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]furan-2-carbonyl]amino]benzoate Traditional Name: 3-[[5-[[[4-tert-butyl-6-(4-ethylpiperazino)pyrimidin-2-yl]thio]methyl]-2-furoyl]amino]benzoic acid methyl ester Formula: C28H35N5O4S MolecularWeight: 537.6736

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=NC(=C2)C(C)(C)C)SCC3=CC=C(O3)C(=O)NC4=CC=CC(=C4)C(=O)OC

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=NC(=C2)C(C)(C)C)SCC3=CC=C(O3)C(=O)NC4=CC=CC(=C4)C(=O)OC

InChI

InChI=1S/C28H35N5O4S/c1-6-32-12-14-33(15-13-32)24-17-23(28(2,3)4)30-27(31-24)38-18-21-10-11-22(37-21)25(34)29-20-9-7-8-19(16-20)26(35)36-5/h7-11,16-17H,6,12-15,18H2,1-5H3,(H,29,34)