N-[[2-[4-(4-fluorophenyl)-5-[2-(thiophen-2-ylmethylamino)pyrimidin-4-yl]-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-5-yl]methyl]benzamide

Systemtic Name: N-[[2-[4-(4-fluorophenyl)-5-[2-(thiophen-2-ylmethylamino)pyrimidin-4-yl]-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-5-yl]methyl]benzamide Openeye Name: N-[[2-[4-(4-fluorophenyl)-5-[2-(2-thienylmethylamino)pyrimidin-4-yl]-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-5-yl]methyl]benzamide CAS Name: N-[[2-[4-(4-fluorophenyl)-5-[2-(thiophen-2-ylmethylamino)-4-pyrimidinyl]-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-5-yl]methyl]benzamide IUPAC Name: N-[[2-[4-(4-fluorophenyl)-5-[2-(thiophen-2-ylmethylamino)pyrimidin-4-yl]-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-5-yl]methyl]benzamide Traditional Name: N-[[2-[4-(4-fluorophenyl)-5-[2-(2-thenylamino)pyrimidin-4-yl]-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-5-yl]methyl]benzamide Formula: C31H29FN6O3S MolecularWeight: 584.663763

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC(OC1)C2=NC(=C(N2)C3=NC(=NC=C3)NCC4=CC=CS4)C5=CC=C(C=C5)F)CNC(=O)C6=CC=CC=C6

Isomeric SMILES

CC1(COC(OC1)C2=NC(=C(N2)C3=NC(=NC=C3)NCC4=CC=CS4)C5=CC=C(C=C5)F)CNC(=O)C6=CC=CC=C6

InChI

InChI=1S/C31H29FN6O3S/c1-31(17-35-28(39)21-6-3-2-4-7-21)18-40-29(41-19-31)27-37-25(20-9-11-22(32)12-10-20)26(38-27)24-13-14-33-30(36-24)34-16-23-8-5-15-42-23/h2-15,29H,16-19H2,1H3,(H,35,39)(H,37,38)(H,33,34,36)