[(1R)-1-(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl] 2-iodanylbenzoate

Systemtic Name: [(1R)-1-(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl] 2-iodanylbenzoate Openeye Name: [(1R)-1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl] 2-iodobenzoate CAS Name: 2-iodobenzoic acid [(1R)-1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl] ester IUPAC Name: [(1R)-1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl] 2-iodobenzoate Traditional Name: 2-iodobenzoic acid [(1R)-1-(4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl] ester Formula: C17H15IN2O3S MolecularWeight: 454.28207

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)C(C)OC(=O)C3=CC=CC=C3I)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)[C@@H](C)OC(=O)C3=CC=CC=C3I)C

InChI

InChI=1S/C17H15IN2O3S/c1-8-10(3)24-16-13(8)15(21)19-14(20-16)9(2)23-17(22)11-6-4-5-7-12(11)18/h4-7,9H,1-3H3,(H,19,20,21)/t9-/m1/s1