4-azanyl-5-iodanyl-1-(4-methylphenyl)sulfonyl-pyrimidin-2-one

Systemtic Name: 4-azanyl-5-iodanyl-1-(4-methylphenyl)sulfonyl-pyrimidin-2-one Openeye Name: 4-amino-5-iodo-1-(p-tolylsulfonyl)pyrimidin-2-one CAS Name: 4-amino-5-iodo-1-(4-methylphenyl)sulfonyl-2-pyrimidinone IUPAC Name: 4-amino-5-iodo-1-(4-methylphenyl)sulfonylpyrimidin-2-one Traditional Name: 4-amino-5-iodo-1-tosyl-pyrimidin-2-one Formula: C11H10IN3O3S MolecularWeight: 391.18487

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C(=NC2=O)N)I

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C(=NC2=O)N)I

InChI

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