[2-[5-[2-[[3,4-bis(fluoranyl)phenyl]amino]pyrimidin-4-yl]-4-(4-fluorophenyl)-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-5-yl]-(4-methylpiperazin-1-yl)methanone

Systemtic Name: [2-[5-[2-[[3,4-bis(fluoranyl)phenyl]amino]pyrimidin-4-yl]-4-(4-fluorophenyl)-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-5-yl]-(4-methylpiperazin-1-yl)methanone Openeye Name: [2-[5-[2-(3,4-difluoroanilino)pyrimidin-4-yl]-4-(4-fluorophenyl)-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-5-yl]-(4-methylpiperazin-1-yl)methanone CAS Name: [2-[5-[2-(3,4-difluoroanilino)-4-pyrimidinyl]-4-(4-fluorophenyl)-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-5-yl]-(4-methyl-1-piperazinyl)methanone IUPAC Name: [2-[5-[2-(3,4-difluoroanilino)pyrimidin-4-yl]-4-(4-fluorophenyl)-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-5-yl]-(4-methylpiperazin-1-yl)methanone Traditional Name: [2-[5-[2-(3,4-difluoroanilino)pyrimidin-4-yl]-4-(4-fluorophenyl)-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-5-yl]-(4-methylpiperazino)methanone Formula: C30H30F3N7O3 MolecularWeight: 593.59951

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(COC(OC1)C2=NC(=C(N2)C3=NC(=NC=C3)NC4=CC(=C(C=C4)F)F)C5=CC=C(C=C5)F)C(=O)N6CCN(CC6)C

Isomeric SMILES

CC1(COC(OC1)C2=NC(=C(N2)C3=NC(=NC=C3)NC4=CC(=C(C=C4)F)F)C5=CC=C(C=C5)F)C(=O)N6CCN(CC6)C

InChI

InChI=1S/C30H30F3N7O3/c1-30(28(41)40-13-11-39(2)12-14-40)16-42-27(43-17-30)26-37-24(18-3-5-19(31)6-4-18)25(38-26)23-9-10-34-29(36-23)35-20-7-8-21(32)22(33)15-20/h3-10,15,27H,11-14,16-17H2,1-2H3,(H,37,38)(H,34,35,36)