4,6-dimethoxy-2-[3-(oxan-2-ylmethoxy)-1-benzothiophen-2-yl]pyrimidine

Systemtic Name: 4,6-dimethoxy-2-[3-(oxan-2-ylmethoxy)-1-benzothiophen-2-yl]pyrimidine Openeye Name: 4,6-dimethoxy-2-[3-(tetrahydropyran-2-ylmethoxy)benzothiophen-2-yl]pyrimidine CAS Name: 4,6-dimethoxy-2-[3-(2-oxanylmethoxy)-1-benzothiophen-2-yl]pyrimidine IUPAC Name: 4,6-dimethoxy-2-[3-(oxan-2-ylmethoxy)-1-benzothiophen-2-yl]pyrimidine Traditional Name: 4,6-dimethoxy-2-[3-(tetrahydropyran-2-ylmethoxy)benzothiophen-2-yl]pyrimidine Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)C2=C(C3=CC=CC=C3S2)OCC4CCCCO4)OC

Isomeric SMILES

COC1=CC(=NC(=N1)C2=C(C3=CC=CC=C3S2)OCC4CCCCO4)OC

InChI

InChI=1S/C20H22N2O4S/c1-23-16-11-17(24-2)22-20(21-16)19-18(14-8-3-4-9-15(14)27-19)26-12-13-7-5-6-10-25-13/h3-4,8-9,11,13H,5-7,10,12H2,1-2H3