(4-iodophenyl)-[4-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]piperazin-1-yl]methanone

Systemtic Name: (4-iodophenyl)-[4-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]piperazin-1-yl]methanone Openeye Name: (4-iodophenyl)-[4-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]piperazin-1-yl]methanone CAS Name: (4-iodophenyl)-[4-[4-methyl-6-(4-methyl-1-piperazinyl)-2-pyrimidinyl]-1-piperazinyl]methanone IUPAC Name: (4-iodophenyl)-[4-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]piperazin-1-yl]methanone Traditional Name: (4-iodophenyl)-[4-[4-methyl-6-(4-methylpiperazino)pyrimidin-2-yl]piperazino]methanone Formula: C21H27IN6O MolecularWeight: 506.38315

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)I)N4CCN(CC4)C

Isomeric SMILES

CC1=CC(=NC(=N1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)I)N4CCN(CC4)C

InChI

InChI=1S/C21H27IN6O/c1-16-15-19(26-9-7-25(2)8-10-26)24-21(23-16)28-13-11-27(12-14-28)20(29)17-3-5-18(22)6-4-17/h3-6,15H,7-14H2,1-2H3