(3-iodanylphenyl)-[4-(4-methyl-6-phenylazanyl-pyrimidin-2-yl)piperazin-1-yl]methanone

Systemtic Name: (3-iodanylphenyl)-[4-(4-methyl-6-phenylazanyl-pyrimidin-2-yl)piperazin-1-yl]methanone Openeye Name: [4-(4-anilino-6-methyl-pyrimidin-2-yl)piperazin-1-yl]-(3-iodophenyl)methanone CAS Name: [4-(4-anilino-6-methyl-2-pyrimidinyl)-1-piperazinyl]-(3-iodophenyl)methanone IUPAC Name: [4-(4-anilino-6-methylpyrimidin-2-yl)piperazin-1-yl]-(3-iodophenyl)methanone Traditional Name: [4-(4-anilino-6-methyl-pyrimidin-2-yl)piperazino]-(3-iodophenyl)methanone Formula: C22H22IN5O MolecularWeight: 499.34745

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22IN5O/c1-16-14-20(25-19-8-3-2-4-9-19)26-22(24-16)28-12-10-27(11-13-28)21(29)17-6-5-7-18(23)15-17/h2-9,14-15H,10-13H2,1H3,(H,24,25,26)