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

Systemtic Name: [4-[4-(dimethylamino)-6-methyl-pyrimidin-2-yl]piperazin-1-yl]-(3-iodanylphenyl)methanone Openeye Name: [4-[4-(dimethylamino)-6-methyl-pyrimidin-2-yl]piperazin-1-yl]-(3-iodophenyl)methanone CAS Name: [4-[4-(dimethylamino)-6-methyl-2-pyrimidinyl]-1-piperazinyl]-(3-iodophenyl)methanone IUPAC Name: [4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]-(3-iodophenyl)methanone Traditional Name: [4-[4-(dimethylamino)-6-methyl-pyrimidin-2-yl]piperazino]-(3-iodophenyl)methanone Formula: C18H22IN5O MolecularWeight: 451.30465

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22IN5O/c1-13-11-16(22(2)3)21-18(20-13)24-9-7-23(8-10-24)17(25)14-5-4-6-15(19)12-14/h4-6,11-12H,7-10H2,1-3H3