N-tert-butyl-4-[3-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)propanoylamino]benzamide

Systemtic Name: N-tert-butyl-4-[3-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)propanoylamino]benzamide Openeye Name: N-tert-butyl-4-[3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoylamino]benzamide CAS Name: N-tert-butyl-4-[[1-oxo-3-(4-oxo-3-thieno[2,3-d]pyrimidinyl)propyl]amino]benzamide IUPAC Name: N-tert-butyl-4-[3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoylamino]benzamide Traditional Name: N-tert-butyl-4-[3-(4-ketothieno[2,3-d]pyrimidin-3-yl)propanoylamino]benzamide Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1=CC=C(C=C1)NC(=O)CCN2C=NC3=C(C2=O)C=CS3

Isomeric SMILES

CC(C)(C)NC(=O)C1=CC=C(C=C1)NC(=O)CCN2C=NC3=C(C2=O)C=CS3

InChI

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