2-(3-cyclopropyl-4-oxidanylidene-thieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(4-ethylphenyl)butanamide

Systemtic Name: 2-(3-cyclopropyl-4-oxidanylidene-thieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(4-ethylphenyl)butanamide Openeye Name: 2-(3-cyclopropyl-4-oxo-thieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(4-ethylphenyl)butanamide CAS Name: 2-[(3-cyclopropyl-4-oxo-2-thieno[3,2-d]pyrimidinyl)thio]-N-(4-ethylphenyl)butanamide IUPAC Name: 2-(3-cyclopropyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(4-ethylphenyl)butanamide Traditional Name: 2-[(3-cyclopropyl-4-keto-thieno[3,2-d]pyrimidin-2-yl)thio]-N-(4-ethylphenyl)butyramide Formula: C21H23N3O2S2 MolecularWeight: 413.55622

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(CC)SC2=NC3=C(C(=O)N2C4CC4)SC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C(CC)SC2=NC3=C(C(=O)N2C4CC4)SC=C3

InChI

InChI=1S/C21H23N3O2S2/c1-3-13-5-7-14(8-6-13)22-19(25)17(4-2)28-21-23-16-11-12-27-18(16)20(26)24(21)15-9-10-15/h5-8,11-12,15,17H,3-4,9-10H2,1-2H3,(H,22,25)