N-[6-iodanyl-7-(4-methylphenyl)sulfonyl-4-oxidanylidene-1H-pyrrolo[2,3-d]pyrimidin-2-yl]-2,2-dimethyl-propanamide

Systemtic Name: N-[6-iodanyl-7-(4-methylphenyl)sulfonyl-4-oxidanylidene-1H-pyrrolo[2,3-d]pyrimidin-2-yl]-2,2-dimethyl-propanamide Openeye Name: N-[6-iodo-4-oxo-7-(p-tolylsulfonyl)-1H-pyrrolo[2,3-d]pyrimidin-2-yl]-2,2-dimethyl-propanamide CAS Name: N-[6-iodo-7-(4-methylphenyl)sulfonyl-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-2-yl]-2,2-dimethylpropanamide IUPAC Name: N-[6-iodo-7-(4-methylphenyl)sulfonyl-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-2-yl]-2,2-dimethylpropanamide Traditional Name: N-(6-iodo-4-keto-7-tosyl-1H-pyrrolo[2,3-d]pyrimidin-2-yl)-2,2-dimethyl-propionamide Formula: C18H19IN4O4S MolecularWeight: 514.33733

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(=CC3=C2NC(=NC3=O)NC(=O)C(C)(C)C)I

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C(=CC3=C2NC(=NC3=O)NC(=O)C(C)(C)C)I

InChI

InChI=1S/C18H19IN4O4S/c1-10-5-7-11(8-6-10)28(26,27)23-13(19)9-12-14(23)20-17(21-15(12)24)22-16(25)18(2,3)4/h5-9H,1-4H3,(H2,20,21,22,24,25)