2-(5,6-dimethyl-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-methyl-2-nitro-phenyl)ethanamide

Systemtic Name: 2-(5,6-dimethyl-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-methyl-2-nitro-phenyl)ethanamide Openeye Name: 2-(3-allyl-5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-methyl-2-nitro-phenyl)acetamide CAS Name: 2-[(5,6-dimethyl-4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]-N-(4-methyl-2-nitrophenyl)acetamide IUPAC Name: 2-(5,6-dimethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-methyl-2-nitrophenyl)acetamide Traditional Name: 2-[(3-allyl-4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)thio]-N-(4-methyl-2-nitro-phenyl)acetamide Formula: C20H20N4O4S2 MolecularWeight: 444.5272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CSC2=NC3=C(C(=C(S3)C)C)C(=O)N2CC=C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CSC2=NC3=C(C(=C(S3)C)C)C(=O)N2CC=C)[N+](=O)[O-]

InChI

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