N-[(4-cyanophenyl)carbamoyl]-2-(5,6-dimethyl-4-oxidanylidene-3-propan-2-yl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[(4-cyanophenyl)carbamoyl]-2-(5,6-dimethyl-4-oxidanylidene-3-propan-2-yl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-[(4-cyanophenyl)carbamoyl]-2-(3-isopropyl-5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-[(4-cyanoanilino)-oxomethyl]-2-[(5,6-dimethyl-4-oxo-3-propan-2-yl-2-thieno[2,3-d]pyrimidinyl)thio]acetamide IUPAC Name: N-[(4-cyanophenyl)carbamoyl]-2-(5,6-dimethyl-4-oxo-3-propan-2-ylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide Traditional Name: N-[(4-cyanophenyl)carbamoyl]-2-[(3-isopropyl-4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)thio]acetamide Formula: C21H21N5O3S2 MolecularWeight: 455.55314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)NC(=O)NC3=CC=C(C=C3)C#N)C(C)C)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)NC(=O)NC3=CC=C(C=C3)C#N)C(C)C)C

InChI

InChI=1S/C21H21N5O3S2/c1-11(2)26-19(28)17-12(3)13(4)31-18(17)25-21(26)30-10-16(27)24-20(29)23-15-7-5-14(9-22)6-8-15/h5-8,11H,10H2,1-4H3,(H2,23,24,27,29)