2-[4-(4-iodophenyl)sulfonylpiperazin-1-yl]-6-methyl-N-phenyl-pyrimidin-4-amine

Systemtic Name: 2-[4-(4-iodophenyl)sulfonylpiperazin-1-yl]-6-methyl-N-phenyl-pyrimidin-4-amine Openeye Name: 2-[4-(4-iodophenyl)sulfonylpiperazin-1-yl]-6-methyl-N-phenyl-pyrimidin-4-amine CAS Name: 2-[4-(4-iodophenyl)sulfonyl-1-piperazinyl]-6-methyl-N-phenyl-4-pyrimidinamine IUPAC Name: 2-[4-(4-iodophenyl)sulfonylpiperazin-1-yl]-6-methyl-N-phenylpyrimidin-4-amine Traditional Name: [2-[4-(4-iodophenyl)sulfonylpiperazino]-6-methyl-pyrimidin-4-yl]-phenyl-amine Formula: C21H22IN5O2S MolecularWeight: 535.40115

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)I)NC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=NC(=N1)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)I)NC4=CC=CC=C4

InChI

InChI=1S/C21H22IN5O2S/c1-16-15-20(24-18-5-3-2-4-6-18)25-21(23-16)26-11-13-27(14-12-26)30(28,29)19-9-7-17(22)8-10-19/h2-10,15H,11-14H2,1H3,(H,23,24,25)