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

Systemtic Name: 3-(5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)-N-(3-iodanyl-4-methyl-phenyl)propanamide Openeye Name: 3-(5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl)-N-(3-iodo-4-methyl-phenyl)propanamide CAS Name: 3-(5,6-dimethyl-4-oxo-3-thieno[2,3-d]pyrimidinyl)-N-(3-iodo-4-methylphenyl)propanamide IUPAC Name: 3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(3-iodo-4-methylphenyl)propanamide Traditional Name: N-(3-iodo-4-methyl-phenyl)-3-(4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-3-yl)propionamide Formula: C18H18IN3O2S MolecularWeight: 467.32389

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CCN2C=NC3=C(C2=O)C(=C(S3)C)C)I

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CCN2C=NC3=C(C2=O)C(=C(S3)C)C)I

InChI

InChI=1S/C18H18IN3O2S/c1-10-4-5-13(8-14(10)19)21-15(23)6-7-22-9-20-17-16(18(22)24)11(2)12(3)25-17/h4-5,8-9H,6-7H2,1-3H3,(H,21,23)