3-(5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)-N-(3-iodanylphenyl)propanamide

Systemtic Name: 3-(5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)-N-(3-iodanylphenyl)propanamide Openeye Name: 3-(5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl)-N-(3-iodophenyl)propanamide CAS Name: 3-(5,6-dimethyl-4-oxo-3-thieno[2,3-d]pyrimidinyl)-N-(3-iodophenyl)propanamide IUPAC Name: 3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(3-iodophenyl)propanamide Traditional Name: N-(3-iodophenyl)-3-(4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-3-yl)propionamide Formula: C17H16IN3O2S MolecularWeight: 453.29731

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CCC(=O)NC3=CC(=CC=C3)I)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CCC(=O)NC3=CC(=CC=C3)I)C

InChI

InChI=1S/C17H16IN3O2S/c1-10-11(2)24-16-15(10)17(23)21(9-19-16)7-6-14(22)20-13-5-3-4-12(18)8-13/h3-5,8-9H,6-7H2,1-2H3,(H,20,22)