3-[4-[bis(chloranyl)methyl]phenyl]-1-(3-iodanyl-4-pyrimidin-2-yl-piperazin-1-yl)prop-2-yn-1-one

Systemtic Name: 3-[4-[bis(chloranyl)methyl]phenyl]-1-(3-iodanyl-4-pyrimidin-2-yl-piperazin-1-yl)prop-2-yn-1-one Openeye Name: 3-[4-(dichloromethyl)phenyl]-1-(3-iodo-4-pyrimidin-2-yl-piperazin-1-yl)prop-2-yn-1-one CAS Name: 3-[4-(dichloromethyl)phenyl]-1-[3-iodo-4-(2-pyrimidinyl)-1-piperazinyl]-2-propyn-1-one IUPAC Name: 3-[4-(dichloromethyl)phenyl]-1-(3-iodo-4-pyrimidin-2-ylpiperazin-1-yl)prop-2-yn-1-one Traditional Name: 3-[4-(dichloromethyl)phenyl]-1-[3-iodo-4-(2-pyrimidyl)piperazino]prop-2-yn-1-one Formula: C18H15Cl2IN4O MolecularWeight: 501.14837

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1C(=O)C#CC2=CC=C(C=C2)C(Cl)Cl)I)C3=NC=CC=N3

Isomeric SMILES

C1CN(C(CN1C(=O)C#CC2=CC=C(C=C2)C(Cl)Cl)I)C3=NC=CC=N3

InChI

InChI=1S/C18H15Cl2IN4O/c19-17(20)14-5-2-13(3-6-14)4-7-16(26)24-10-11-25(15(21)12-24)18-22-8-1-9-23-18/h1-3,5-6,8-9,15,17H,10-12H2