3-methyl-N-[4-[3-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)propanoylamino]phenyl]butanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=O)CCN2C=NC3=C(C2=O)C=CS3

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=O)CCN2C=NC3=C(C2=O)C=CS3

InChI

InChI=1S/C20H22N4O3S/c1-13(2)11-18(26)23-15-5-3-14(4-6-15)22-17(25)7-9-24-12-21-19-16(20(24)27)8-10-28-19/h3-6,8,10,12-13H,7,9,11H2,1-2H3,(H,22,25)(H,23,26)