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

Systemtic Name: 3-(4-tert-butylphenyl)-1-(3-iodanyl-4-pyrimidin-2-yl-piperazin-1-yl)prop-2-yn-1-one Openeye Name: 3-(4-tert-butylphenyl)-1-(3-iodo-4-pyrimidin-2-yl-piperazin-1-yl)prop-2-yn-1-one CAS Name: 3-(4-tert-butylphenyl)-1-[3-iodo-4-(2-pyrimidinyl)-1-piperazinyl]-2-propyn-1-one IUPAC Name: 3-(4-tert-butylphenyl)-1-(3-iodo-4-pyrimidin-2-ylpiperazin-1-yl)prop-2-yn-1-one Traditional Name: 3-(4-tert-butylphenyl)-1-[3-iodo-4-(2-pyrimidyl)piperazino]prop-2-yn-1-one Formula: C21H23IN4O MolecularWeight: 474.33799

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23IN4O/c1-21(2,3)17-8-5-16(6-9-17)7-10-19(27)25-13-14-26(18(22)15-25)20-23-11-4-12-24-20/h4-6,8-9,11-12,18H,13-15H2,1-3H3