3-[2-[(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]propanoylamino]-N-ethyl-benzamide

Systemtic Name: 3-[2-[(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]propanoylamino]-N-ethyl-benzamide Openeye Name: 3-[2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]propanoylamino]-N-ethyl-benzamide CAS Name: 3-[[2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylthio]-1-oxopropyl]amino]-N-ethylbenzamide IUPAC Name: 3-[2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]propanoylamino]-N-ethylbenzamide Traditional Name: N-ethyl-3-[2-[(4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)methylthio]propanoylamino]benzamide Formula: C21H24N4O3S2 MolecularWeight: 444.57026

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1=CC(=CC=C1)NC(=O)C(C)SCC2=NC3=C(C(=C(S3)C)C)C(=O)N2

Isomeric SMILES

CCNC(=O)C1=CC(=CC=C1)NC(=O)C(C)SCC2=NC3=C(C(=C(S3)C)C)C(=O)N2

InChI

InChI=1S/C21H24N4O3S2/c1-5-22-19(27)14-7-6-8-15(9-14)23-18(26)13(4)29-10-16-24-20(28)17-11(2)12(3)30-21(17)25-16/h6-9,13H,5,10H2,1-4H3,(H,22,27)(H,23,26)(H,24,25,28)