N-(2,5-dimethylphenyl)-2-(4-oxidanylidene-3-prop-2-enyl-thieno[3,2-d]pyrimidin-2-yl)sulfanyl-propanamide

Systemtic Name: N-(2,5-dimethylphenyl)-2-(4-oxidanylidene-3-prop-2-enyl-thieno[3,2-d]pyrimidin-2-yl)sulfanyl-propanamide Openeye Name: 2-(3-allyl-4-oxo-thieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(2,5-dimethylphenyl)propanamide CAS Name: N-(2,5-dimethylphenyl)-2-[(4-oxo-3-prop-2-enyl-2-thieno[3,2-d]pyrimidinyl)thio]propanamide IUPAC Name: N-(2,5-dimethylphenyl)-2-(4-oxo-3-prop-2-enylthieno[3,2-d]pyrimidin-2-yl)sulfanylpropanamide Traditional Name: 2-[(3-allyl-4-keto-thieno[3,2-d]pyrimidin-2-yl)thio]-N-(2,5-dimethylphenyl)propionamide Formula: C20H21N3O2S2 MolecularWeight: 399.52964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C(C)SC2=NC3=C(C(=O)N2CC=C)SC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)C(C)SC2=NC3=C(C(=O)N2CC=C)SC=C3

InChI

InChI=1S/C20H21N3O2S2/c1-5-9-23-19(25)17-15(8-10-26-17)22-20(23)27-14(4)18(24)21-16-11-12(2)6-7-13(16)3/h5-8,10-11,14H,1,9H2,2-4H3,(H,21,24)