2-[4-[[3-(2-methylpropyl)-2-(oxolan-2-ylmethylsulfonyl)imidazol-4-yl]methyl]piperazin-1-yl]pyrimidine

Systemtic Name: 2-[4-[[3-(2-methylpropyl)-2-(oxolan-2-ylmethylsulfonyl)imidazol-4-yl]methyl]piperazin-1-yl]pyrimidine Openeye Name: 2-[4-[[3-isobutyl-2-(tetrahydrofuran-2-ylmethylsulfonyl)imidazol-4-yl]methyl]piperazin-1-yl]pyrimidine CAS Name: 2-[4-[[3-(2-methylpropyl)-2-(2-oxolanylmethylsulfonyl)-4-imidazolyl]methyl]-1-piperazinyl]pyrimidine IUPAC Name: 2-[4-[[3-(2-methylpropyl)-2-(oxolan-2-ylmethylsulfonyl)imidazol-4-yl]methyl]piperazin-1-yl]pyrimidine Traditional Name: 2-[4-[[3-isobutyl-2-(tetrahydrofurfurylsulfonyl)imidazol-4-yl]methyl]piperazino]pyrimidine Formula: C21H32N6O3S MolecularWeight: 448.58218

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=CN=C1S(=O)(=O)CC2CCCO2)CN3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC(C)CN1C(=CN=C1S(=O)(=O)CC2CCCO2)CN3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C21H32N6O3S/c1-17(2)14-27-18(13-24-21(27)31(28,29)16-19-5-3-12-30-19)15-25-8-10-26(11-9-25)20-22-6-4-7-23-20/h4,6-7,13,17,19H,3,5,8-12,14-16H2,1-2H3