5-[[4-ethyl-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide

Systemtic Name: 5-[[4-ethyl-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide Openeye Name: 5-[[4-(4-benzylpiperazin-1-yl)-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]-N-(tetrahydrofuran-2-ylmethyl)furan-2-carboxamide CAS Name: 5-[[[4-ethyl-6-[4-(phenylmethyl)-1-piperazinyl]-2-pyrimidinyl]thio]methyl]-N-(2-oxolanylmethyl)-2-furancarboxamide IUPAC Name: 5-[[4-(4-benzylpiperazin-1-yl)-6-ethylpyrimidin-2-yl]sulfanylmethyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide Traditional Name: 5-[[[4-(4-benzylpiperazino)-6-ethyl-pyrimidin-2-yl]thio]methyl]-N-(tetrahydrofurfuryl)-2-furamide Formula: C28H35N5O3S MolecularWeight: 521.6742

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)NCC3CCCO3)N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)NCC3CCCO3)N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C28H35N5O3S/c1-2-22-17-26(33-14-12-32(13-15-33)19-21-7-4-3-5-8-21)31-28(30-22)37-20-24-10-11-25(36-24)27(34)29-18-23-9-6-16-35-23/h3-5,7-8,10-11,17,23H,2,6,9,12-16,18-20H2,1H3,(H,29,34)