4-[2-(3-butyl-5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanylpropanoylamino]benzamide

Systemtic Name: 4-[2-(3-butyl-5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanylpropanoylamino]benzamide Openeye Name: 4-[2-(3-butyl-5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanylpropanoylamino]benzamide CAS Name: 4-[[2-[(3-butyl-5,6-dimethyl-4-oxo-2-thieno[2,3-d]pyrimidinyl)thio]-1-oxopropyl]amino]benzamide IUPAC Name: 4-[2-(3-butyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylpropanoylamino]benzamide Traditional Name: 4-[2-[(3-butyl-4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)thio]propanoylamino]benzamide Formula: C22H26N4O3S2 MolecularWeight: 458.59684

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(N=C1SC(C)C(=O)NC3=CC=C(C=C3)C(=O)N)SC(=C2C)C

Isomeric SMILES

CCCCN1C(=O)C2=C(N=C1SC(C)C(=O)NC3=CC=C(C=C3)C(=O)N)SC(=C2C)C

InChI

InChI=1S/C22H26N4O3S2/c1-5-6-11-26-21(29)17-12(2)13(3)30-20(17)25-22(26)31-14(4)19(28)24-16-9-7-15(8-10-16)18(23)27/h7-10,14H,5-6,11H2,1-4H3,(H2,23,27)(H,24,28)