6-[4-[(6-fluoranyl-4H-1,3-benzodioxin-8-yl)methyl]piperazin-1-yl]-N-methyl-N-(3-methylphenyl)pyrimidin-4-amine

Systemtic Name: 6-[4-[(6-fluoranyl-4H-1,3-benzodioxin-8-yl)methyl]piperazin-1-yl]-N-methyl-N-(3-methylphenyl)pyrimidin-4-amine Openeye Name: 6-[4-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-1-yl]-N-methyl-N-(m-tolyl)pyrimidin-4-amine CAS Name: 6-[4-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-1-piperazinyl]-N-methyl-N-(3-methylphenyl)-4-pyrimidinamine IUPAC Name: 6-[4-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-1-yl]-N-methyl-N-(3-methylphenyl)pyrimidin-4-amine Traditional Name: [6-[4-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperazino]pyrimidin-4-yl]-methyl-(m-tolyl)amine Formula: C25H28FN5O2 MolecularWeight: 449.520523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(C)C2=NC=NC(=C2)N3CCN(CC3)CC4=C5C(=CC(=C4)F)COCO5

Isomeric SMILES

CC1=CC(=CC=C1)N(C)C2=NC=NC(=C2)N3CCN(CC3)CC4=C5C(=CC(=C4)F)COCO5

InChI

InChI=1S/C25H28FN5O2/c1-18-4-3-5-22(10-18)29(2)23-13-24(28-16-27-23)31-8-6-30(7-9-31)14-19-11-21(26)12-20-15-32-17-33-25(19)20/h3-5,10-13,16H,6-9,14-15,17H2,1-2H3