N-(3-methylbutylcarbamoyl)-2-(5-methyl-4-oxidanylidene-6-phenyl-thieno[2,3-d]pyrimidin-3-yl)ethanamide

Systemtic Name: N-(3-methylbutylcarbamoyl)-2-(5-methyl-4-oxidanylidene-6-phenyl-thieno[2,3-d]pyrimidin-3-yl)ethanamide Openeye Name: N-(isopentylcarbamoyl)-2-(5-methyl-4-oxo-6-phenyl-thieno[2,3-d]pyrimidin-3-yl)acetamide CAS Name: N-[(3-methylbutylamino)-oxomethyl]-2-(5-methyl-4-oxo-6-phenyl-3-thieno[2,3-d]pyrimidinyl)acetamide IUPAC Name: N-(3-methylbutylcarbamoyl)-2-(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide Traditional Name: N-(isoamylcarbamoyl)-2-(4-keto-5-methyl-6-phenyl-thieno[2,3-d]pyrimidin-3-yl)acetamide Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)NC(=O)NCCC(C)C)C3=CC=CC=C3

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)NC(=O)NCCC(C)C)C3=CC=CC=C3

InChI

InChI=1S/C21H24N4O3S/c1-13(2)9-10-22-21(28)24-16(26)11-25-12-23-19-17(20(25)27)14(3)18(29-19)15-7-5-4-6-8-15/h4-8,12-13H,9-11H2,1-3H3,(H2,22,24,26,28)