2-(3-ethyl-5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(phenylmethyl)butanamide

Systemtic Name: 2-(3-ethyl-5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(phenylmethyl)butanamide Openeye Name: N-benzyl-2-(3-ethyl-5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-butanamide CAS Name: 2-[(3-ethyl-5,6-dimethyl-4-oxo-2-thieno[2,3-d]pyrimidinyl)thio]-N-(phenylmethyl)butanamide IUPAC Name: N-benzyl-2-(3-ethyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylbutanamide Traditional Name: N-benzyl-2-[(3-ethyl-4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)thio]butyramide Formula: C21H25N3O2S2 MolecularWeight: 415.5721

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCC1=CC=CC=C1)SC2=NC3=C(C(=C(S3)C)C)C(=O)N2CC

Isomeric SMILES

CCC(C(=O)NCC1=CC=CC=C1)SC2=NC3=C(C(=C(S3)C)C)C(=O)N2CC

InChI

InChI=1S/C21H25N3O2S2/c1-5-16(18(25)22-12-15-10-8-7-9-11-15)28-21-23-19-17(13(3)14(4)27-19)20(26)24(21)6-2/h7-11,16H,5-6,12H2,1-4H3,(H,22,25)