N-phenyl-4-[2-(3,5,6-trimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoyl]piperazine-1-carboxamide

Systemtic Name: N-phenyl-4-[2-(3,5,6-trimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoyl]piperazine-1-carboxamide Openeye Name: N-phenyl-4-[2-(3,5,6-trimethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]piperazine-1-carboxamide CAS Name: 4-[1-oxo-2-[(3,5,6-trimethyl-4-oxo-2-thieno[2,3-d]pyrimidinyl)thio]ethyl]-N-phenyl-1-piperazinecarboxamide IUPAC Name: N-phenyl-4-[2-(3,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]piperazine-1-carboxamide Traditional Name: 4-[2-[(4-keto-3,5,6-trimethyl-thieno[2,3-d]pyrimidin-2-yl)thio]acetyl]-N-phenyl-piperazine-1-carboxamide Formula: C22H25N5O3S2 MolecularWeight: 471.5956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)N3CCN(CC3)C(=O)NC4=CC=CC=C4)C)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)N3CCN(CC3)C(=O)NC4=CC=CC=C4)C)C

InChI

InChI=1S/C22H25N5O3S2/c1-14-15(2)32-19-18(14)20(29)25(3)22(24-19)31-13-17(28)26-9-11-27(12-10-26)21(30)23-16-7-5-4-6-8-16/h4-8H,9-13H2,1-3H3,(H,23,30)