(2-azanyl-6-iodanyl-pyrimidin-4-yl) 4-methylbenzenesulfonate

Systemtic Name: (2-azanyl-6-iodanyl-pyrimidin-4-yl) 4-methylbenzenesulfonate Openeye Name: (2-amino-6-iodo-pyrimidin-4-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (2-amino-6-iodo-4-pyrimidinyl) ester IUPAC Name: (2-amino-6-iodopyrimidin-4-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-amino-6-iodo-pyrimidin-4-yl) ester Formula: C11H10IN3O3S MolecularWeight: 391.18487

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=NC(=N2)N)I

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=NC(=N2)N)I

InChI

InChI=1S/C11H10IN3O3S/c1-7-2-4-8(5-3-7)19(16,17)18-10-6-9(12)14-11(13)15-10/h2-6H,1H3,(H2,13,14,15)