1,3-benzodioxol-5-yl-[4-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]piperazin-1-yl]methanone

Systemtic Name: 1,3-benzodioxol-5-yl-[4-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]piperazin-1-yl]methanone Openeye Name: 1,3-benzodioxol-5-yl-[4-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]piperazin-1-yl]methanone CAS Name: 1,3-benzodioxol-5-yl-[4-[4-methyl-6-(4-methyl-1-piperazinyl)-2-pyrimidinyl]-1-piperazinyl]methanone IUPAC Name: 1,3-benzodioxol-5-yl-[4-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]piperazin-1-yl]methanone Traditional Name: 1,3-benzodioxol-5-yl-[4-[4-methyl-6-(4-methylpiperazino)pyrimidin-2-yl]piperazino]methanone Formula: C22H28N6O3 MolecularWeight: 424.49612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)OCO4)N5CCN(CC5)C

Isomeric SMILES

CC1=CC(=NC(=N1)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)OCO4)N5CCN(CC5)C

InChI

InChI=1S/C22H28N6O3/c1-16-13-20(26-7-5-25(2)6-8-26)24-22(23-16)28-11-9-27(10-12-28)21(29)17-3-4-18-19(14-17)31-15-30-18/h3-4,13-14H,5-12,15H2,1-2H3