3-(4-ethoxyphenyl)-1-(3-iodanyl-4-pyrimidin-2-yl-piperazin-1-yl)prop-2-yn-1-one

Systemtic Name: 3-(4-ethoxyphenyl)-1-(3-iodanyl-4-pyrimidin-2-yl-piperazin-1-yl)prop-2-yn-1-one Openeye Name: 3-(4-ethoxyphenyl)-1-(3-iodo-4-pyrimidin-2-yl-piperazin-1-yl)prop-2-yn-1-one CAS Name: 3-(4-ethoxyphenyl)-1-[3-iodo-4-(2-pyrimidinyl)-1-piperazinyl]-2-propyn-1-one IUPAC Name: 3-(4-ethoxyphenyl)-1-(3-iodo-4-pyrimidin-2-ylpiperazin-1-yl)prop-2-yn-1-one Traditional Name: 1-[3-iodo-4-(2-pyrimidyl)piperazino]-3-p-phenetyl-prop-2-yn-1-one Formula: C19H19IN4O2 MolecularWeight: 462.28423

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C#CC(=O)N2CCN(C(C2)I)C3=NC=CC=N3

Isomeric SMILES

CCOC1=CC=C(C=C1)C#CC(=O)N2CCN(C(C2)I)C3=NC=CC=N3

InChI

InChI=1S/C19H19IN4O2/c1-2-26-16-7-4-15(5-8-16)6-9-18(25)23-12-13-24(17(20)14-23)19-21-10-3-11-22-19/h3-5,7-8,10-11,17H,2,12-14H2,1H3