N-[2-[(4,6-dimethoxypyrimidin-2-yl)-phenyl-methyl]sulfanylethyl]furan-2-carboxamide

Systemtic Name: N-[2-[(4,6-dimethoxypyrimidin-2-yl)-phenyl-methyl]sulfanylethyl]furan-2-carboxamide Openeye Name: N-[2-[(4,6-dimethoxypyrimidin-2-yl)-phenyl-methyl]sulfanylethyl]furan-2-carboxamide CAS Name: N-[2-[[(4,6-dimethoxy-2-pyrimidinyl)-phenylmethyl]thio]ethyl]-2-furancarboxamide IUPAC Name: N-[2-[(4,6-dimethoxypyrimidin-2-yl)-phenylmethyl]sulfanylethyl]furan-2-carboxamide Traditional Name: N-[2-[[(4,6-dimethoxypyrimidin-2-yl)-phenyl-methyl]thio]ethyl]-2-furamide Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)C(C2=CC=CC=C2)SCCNC(=O)C3=CC=CO3)OC

Isomeric SMILES

COC1=CC(=NC(=N1)C(C2=CC=CC=C2)SCCNC(=O)C3=CC=CO3)OC

InChI

InChI=1S/C20H21N3O4S/c1-25-16-13-17(26-2)23-19(22-16)18(14-7-4-3-5-8-14)28-12-10-21-20(24)15-9-6-11-27-15/h3-9,11,13,18H,10,12H2,1-2H3,(H,21,24)