5-[[4-(4-ethylpiperazin-1-yl)-6-(methoxymethyl)pyrimidin-2-yl]sulfanylmethyl]-N-(2-methylpropyl)furan-2-carboxamide

Systemtic Name: 5-[[4-(4-ethylpiperazin-1-yl)-6-(methoxymethyl)pyrimidin-2-yl]sulfanylmethyl]-N-(2-methylpropyl)furan-2-carboxamide Openeye Name: 5-[[4-(4-ethylpiperazin-1-yl)-6-(methoxymethyl)pyrimidin-2-yl]sulfanylmethyl]-N-isobutyl-furan-2-carboxamide CAS Name: 5-[[[4-(4-ethyl-1-piperazinyl)-6-(methoxymethyl)-2-pyrimidinyl]thio]methyl]-N-(2-methylpropyl)-2-furancarboxamide IUPAC Name: 5-[[4-(4-ethylpiperazin-1-yl)-6-(methoxymethyl)pyrimidin-2-yl]sulfanylmethyl]-N-(2-methylpropyl)furan-2-carboxamide Traditional Name: 5-[[[4-(4-ethylpiperazino)-6-(methoxymethyl)pyrimidin-2-yl]thio]methyl]-N-isobutyl-2-furamide Formula: C22H33N5O3S MolecularWeight: 447.59412

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=NC(=C2)COC)SCC3=CC=C(O3)C(=O)NCC(C)C

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=NC(=C2)COC)SCC3=CC=C(O3)C(=O)NCC(C)C

InChI

InChI=1S/C22H33N5O3S/c1-5-26-8-10-27(11-9-26)20-12-17(14-29-4)24-22(25-20)31-15-18-6-7-19(30-18)21(28)23-13-16(2)3/h6-7,12,16H,5,8-11,13-15H2,1-4H3,(H,23,28)