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

Systemtic Name: 3-[[3-(5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)propanoylamino]methyl]-N-methyl-benzamide Openeye Name: 3-[[3-(5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl)propanoylamino]methyl]-N-methyl-benzamide CAS Name: 3-[[[3-(5,6-dimethyl-4-oxo-3-thieno[2,3-d]pyrimidinyl)-1-oxopropyl]amino]methyl]-N-methylbenzamide IUPAC Name: 3-[[3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanoylamino]methyl]-N-methylbenzamide Traditional Name: 3-[[3-(4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-3-yl)propanoylamino]methyl]-N-methyl-benzamide Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CCC(=O)NCC3=CC=CC(=C3)C(=O)NC)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CCC(=O)NCC3=CC=CC(=C3)C(=O)NC)C

InChI

InChI=1S/C20H22N4O3S/c1-12-13(2)28-19-17(12)20(27)24(11-23-19)8-7-16(25)22-10-14-5-4-6-15(9-14)18(26)21-3/h4-6,9,11H,7-8,10H2,1-3H3,(H,21,26)(H,22,25)