1-[[3-(hydroxymethyl)-2,2,3-trimethyl-cyclopentyl]methyl]-5-iodanyl-pyrimidine-2,4-dione

Systemtic Name: 1-[[3-(hydroxymethyl)-2,2,3-trimethyl-cyclopentyl]methyl]-5-iodanyl-pyrimidine-2,4-dione Openeye Name: 1-[[3-(hydroxymethyl)-2,2,3-trimethyl-cyclopentyl]methyl]-5-iodo-pyrimidine-2,4-dione CAS Name: 1-[[3-(hydroxymethyl)-2,2,3-trimethylcyclopentyl]methyl]-5-iodopyrimidine-2,4-dione IUPAC Name: 1-[[3-(hydroxymethyl)-2,2,3-trimethylcyclopentyl]methyl]-5-iodopyrimidine-2,4-dione Traditional Name: 5-iodo-1-[(2,2,3-trimethyl-3-methylol-cyclopentyl)methyl]pyrimidine-2,4-quinone Formula: C14H21IN2O3 MolecularWeight: 392.23261

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(CCC1(C)CO)CN2C=C(C(=O)NC2=O)I)C

Isomeric SMILES

CC1(C(CCC1(C)CO)CN2C=C(C(=O)NC2=O)I)C

InChI

InChI=1S/C14H21IN2O3/c1-13(2)9(4-5-14(13,3)8-18)6-17-7-10(15)11(19)16-12(17)20/h7,9,18H,4-6,8H2,1-3H3,(H,16,19,20)