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

Systemtic Name: 5-[[4-ethyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-(phenylmethyl)furan-2-carboxamide Openeye Name: N-benzyl-5-[[4-ethyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxamide CAS Name: 5-[[[4-ethyl-6-[4-(4-methoxyphenyl)-1-piperazinyl]-2-pyrimidinyl]thio]methyl]-N-(phenylmethyl)-2-furancarboxamide IUPAC Name: N-benzyl-5-[[4-ethyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxamide Traditional Name: N-benzyl-5-[[[4-ethyl-6-[4-(4-methoxyphenyl)piperazino]pyrimidin-2-yl]thio]methyl]-2-furamide Formula: C30H33N5O3S MolecularWeight: 543.67972

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)NCC3=CC=CC=C3)N4CCN(CC4)C5=CC=C(C=C5)OC

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)NCC3=CC=CC=C3)N4CCN(CC4)C5=CC=C(C=C5)OC

InChI

InChI=1S/C30H33N5O3S/c1-3-23-19-28(35-17-15-34(16-18-35)24-9-11-25(37-2)12-10-24)33-30(32-23)39-21-26-13-14-27(38-26)29(36)31-20-22-7-5-4-6-8-22/h4-14,19H,3,15-18,20-21H2,1-2H3,(H,31,36)