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

Systemtic Name: 5-[[4-ethyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-(pyridin-4-ylmethyl)furan-2-carboxamide Openeye Name: 5-[[4-ethyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-(4-pyridylmethyl)furan-2-carboxamide CAS Name: 5-[[[4-ethyl-6-[4-(4-methoxyphenyl)-1-piperazinyl]-2-pyrimidinyl]thio]methyl]-N-(pyridin-4-ylmethyl)-2-furancarboxamide IUPAC Name: 5-[[4-ethyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-(pyridin-4-ylmethyl)furan-2-carboxamide Traditional Name: 5-[[[4-ethyl-6-[4-(4-methoxyphenyl)piperazino]pyrimidin-2-yl]thio]methyl]-N-(4-pyridylmethyl)-2-furamide Formula: C29H32N6O3S MolecularWeight: 544.66778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H32N6O3S/c1-3-22-18-27(35-16-14-34(15-17-35)23-4-6-24(37-2)7-5-23)33-29(32-22)39-20-25-8-9-26(38-25)28(36)31-19-21-10-12-30-13-11-21/h4-13,18H,3,14-17,19-20H2,1-2H3,(H,31,36)