4-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-3-yl]-2-(2-methoxyethylsulfanyl)-5-(3-methoxyphenyl)pyrimidine

Systemtic Name: 4-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-3-yl]-2-(2-methoxyethylsulfanyl)-5-(3-methoxyphenyl)pyrimidine Openeye Name: 4-[1-(2,3-dihydrobenzofuran-5-ylmethyl)-3-piperidyl]-2-(2-methoxyethylsulfanyl)-5-(3-methoxyphenyl)pyrimidine CAS Name: 4-[1-(2,3-dihydrobenzofuran-5-ylmethyl)-3-piperidinyl]-2-(2-methoxyethylthio)-5-(3-methoxyphenyl)pyrimidine IUPAC Name: 4-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-3-yl]-2-(2-methoxyethylsulfanyl)-5-(3-methoxyphenyl)pyrimidine Traditional Name: 4-[1-(coumaran-5-ylmethyl)-3-piperidyl]-2-(2-methoxyethylthio)-5-(3-methoxyphenyl)pyrimidine Formula: C28H33N3O3S MolecularWeight: 491.64492

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Descriptors Computed from Structure

Canonical SMILES:

COCCSC1=NC=C(C(=N1)C2CCCN(C2)CC3=CC4=C(C=C3)OCC4)C5=CC(=CC=C5)OC

Isomeric SMILES

COCCSC1=NC=C(C(=N1)C2CCCN(C2)CC3=CC4=C(C=C3)OCC4)C5=CC(=CC=C5)OC

InChI

InChI=1S/C28H33N3O3S/c1-32-13-14-35-28-29-17-25(21-5-3-7-24(16-21)33-2)27(30-28)23-6-4-11-31(19-23)18-20-8-9-26-22(15-20)10-12-34-26/h3,5,7-9,15-17,23H,4,6,10-14,18-19H2,1-2H3