N-[3-cyano-4-(4-methoxyphenyl)thiophen-2-yl]-2-(4,6-dimethyl-2-oxidanylidene-pyrimidin-1-yl)butanamide

Systemtic Name: N-[3-cyano-4-(4-methoxyphenyl)thiophen-2-yl]-2-(4,6-dimethyl-2-oxidanylidene-pyrimidin-1-yl)butanamide Openeye Name: N-[3-cyano-4-(4-methoxyphenyl)-2-thienyl]-2-(4,6-dimethyl-2-oxo-pyrimidin-1-yl)butanamide CAS Name: N-[3-cyano-4-(4-methoxyphenyl)-2-thiophenyl]-2-(4,6-dimethyl-2-oxo-1-pyrimidinyl)butanamide IUPAC Name: N-[3-cyano-4-(4-methoxyphenyl)thiophen-2-yl]-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)butanamide Traditional Name: N-[3-cyano-4-(4-methoxyphenyl)-2-thienyl]-2-(2-keto-4,6-dimethyl-pyrimidin-1-yl)butyramide Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C(=CS1)C2=CC=C(C=C2)OC)C#N)N3C(=CC(=NC3=O)C)C

Isomeric SMILES

CCC(C(=O)NC1=C(C(=CS1)C2=CC=C(C=C2)OC)C#N)N3C(=CC(=NC3=O)C)C

InChI

InChI=1S/C22H22N4O3S/c1-5-19(26-14(3)10-13(2)24-22(26)28)20(27)25-21-17(11-23)18(12-30-21)15-6-8-16(29-4)9-7-15/h6-10,12,19H,5H2,1-4H3,(H,25,27)