(2-iodanyl-3-methyl-phenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: (2-iodanyl-3-methyl-phenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: (2-iodo-3-methyl-phenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: (2-iodo-3-methylphenyl)-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: (2-iodo-3-methylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: (2-iodo-3-methyl-phenyl)-[4-(2-pyrimidyl)piperazino]methanone Formula: C16H17IN4O MolecularWeight: 408.23685

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1I)C(=O)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CC1=CC=CC(=C1I)C(=O)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C16H17IN4O/c1-12-4-2-5-13(14(12)17)15(22)20-8-10-21(11-9-20)16-18-6-3-7-19-16/h2-7H,8-11H2,1H3