4-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-3-yl]-5-methyl-2-(pyridin-3-ylmethylsulfanyl)pyrimidine

Systemtic Name: 4-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-3-yl]-5-methyl-2-(pyridin-3-ylmethylsulfanyl)pyrimidine Openeye Name: 4-[1-(2,3-dihydrobenzofuran-5-ylmethyl)-3-piperidyl]-5-methyl-2-(3-pyridylmethylsulfanyl)pyrimidine CAS Name: 4-[1-(2,3-dihydrobenzofuran-5-ylmethyl)-3-piperidinyl]-5-methyl-2-(3-pyridinylmethylthio)pyrimidine IUPAC Name: 4-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-3-yl]-5-methyl-2-(pyridin-3-ylmethylsulfanyl)pyrimidine Traditional Name: 4-[1-(coumaran-5-ylmethyl)-3-piperidyl]-5-methyl-2-(3-pyridylmethylthio)pyrimidine Formula: C25H28N4OS MolecularWeight: 432.58102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1C2CCCN(C2)CC3=CC4=C(C=C3)OCC4)SCC5=CN=CC=C5

Isomeric SMILES

CC1=CN=C(N=C1C2CCCN(C2)CC3=CC4=C(C=C3)OCC4)SCC5=CN=CC=C5

InChI

InChI=1S/C25H28N4OS/c1-18-13-27-25(31-17-20-4-2-9-26-14-20)28-24(18)22-5-3-10-29(16-22)15-19-6-7-23-21(12-19)8-11-30-23/h2,4,6-7,9,12-14,22H,3,5,8,10-11,15-17H2,1H3