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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(C)SC2=NC3=C(C(=C(S3)C)C)C(=O)N2CC

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C(C)SC2=NC3=C(C(=C(S3)C)C)C(=O)N2CC

InChI

InChI=1S/C21H25N3O2S2/c1-6-15-8-10-16(11-9-15)22-18(25)14(5)28-21-23-19-17(12(3)13(4)27-19)20(26)24(21)7-2/h8-11,14H,6-7H2,1-5H3,(H,22,25)