5-hex-1-ynyl-6-iodanyl-1-methyl-3-(phenylcarbonyl)pyrimidine-2,4-dione

Systemtic Name: 5-hex-1-ynyl-6-iodanyl-1-methyl-3-(phenylcarbonyl)pyrimidine-2,4-dione Openeye Name: 3-benzoyl-5-hex-1-ynyl-6-iodo-1-methyl-pyrimidine-2,4-dione CAS Name: 3-benzoyl-5-hex-1-ynyl-6-iodo-1-methylpyrimidine-2,4-dione IUPAC Name: 3-benzoyl-5-hex-1-ynyl-6-iodo-1-methylpyrimidine-2,4-dione Traditional Name: 3-benzoyl-5-hex-1-ynyl-6-iodo-1-methyl-pyrimidine-2,4-quinone Formula: C18H17IN2O3 MolecularWeight: 436.24365

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC1=C(N(C(=O)N(C1=O)C(=O)C2=CC=CC=C2)C)I

Isomeric SMILES

CCCCC#CC1=C(N(C(=O)N(C1=O)C(=O)C2=CC=CC=C2)C)I

InChI

InChI=1S/C18H17IN2O3/c1-3-4-5-9-12-14-15(19)20(2)18(24)21(17(14)23)16(22)13-10-7-6-8-11-13/h6-8,10-11H,3-5H2,1-2H3