N-(2,3-dimethyl-6-nitro-phenyl)-2-(4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-propanamide

Systemtic Name: N-(2,3-dimethyl-6-nitro-phenyl)-2-(4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-propanamide Openeye Name: 2-(3-allyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2,3-dimethyl-6-nitro-phenyl)propanamide CAS Name: N-(2,3-dimethyl-6-nitrophenyl)-2-[(4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]propanamide IUPAC Name: N-(2,3-dimethyl-6-nitrophenyl)-2-(4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylpropanamide Traditional Name: 2-[(3-allyl-4-keto-thieno[2,3-d]pyrimidin-2-yl)thio]-N-(2,3-dimethyl-6-nitro-phenyl)propionamide Formula: C20H20N4O4S2 MolecularWeight: 444.5272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)C(C)SC2=NC3=C(C=CS3)C(=O)N2CC=C)C

Isomeric SMILES

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)C(C)SC2=NC3=C(C=CS3)C(=O)N2CC=C)C

InChI

InChI=1S/C20H20N4O4S2/c1-5-9-23-19(26)14-8-10-29-18(14)22-20(23)30-13(4)17(25)21-16-12(3)11(2)6-7-15(16)24(27)28/h5-8,10,13H,1,9H2,2-4H3,(H,21,25)