2-[1,3-dimethyl-2,4-bis(oxidanylidene)-7-thiophen-2-yl-pyrimido[4,5-d]pyrimidin-5-yl]sulfanyl-N-phenethyl-ethanamide

Systemtic Name: 2-[1,3-dimethyl-2,4-bis(oxidanylidene)-7-thiophen-2-yl-pyrimido[4,5-d]pyrimidin-5-yl]sulfanyl-N-phenethyl-ethanamide Openeye Name: 2-[1,3-dimethyl-2,4-dioxo-7-(2-thienyl)pyrimido[4,5-d]pyrimidin-5-yl]sulfanyl-N-phenethyl-acetamide CAS Name: 2-[(1,3-dimethyl-2,4-dioxo-7-thiophen-2-yl-5-pyrimido[4,5-d]pyrimidinyl)thio]-N-phenethylacetamide IUPAC Name: 2-(1,3-dimethyl-2,4-dioxo-7-thiophen-2-ylpyrimido[4,5-d]pyrimidin-5-yl)sulfanyl-N-phenethylacetamide Traditional Name: 2-[[2,4-diketo-1,3-dimethyl-7-(2-thienyl)pyrimido[4,5-d]pyrimidin-5-yl]thio]-N-phenethyl-acetamide Formula: C22H21N5O3S2 MolecularWeight: 467.56384

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC(=N2)C3=CC=CS3)SCC(=O)NCCC4=CC=CC=C4)C(=O)N(C1=O)C

Isomeric SMILES

CN1C2=C(C(=NC(=N2)C3=CC=CS3)SCC(=O)NCCC4=CC=CC=C4)C(=O)N(C1=O)C

InChI

InChI=1S/C22H21N5O3S2/c1-26-19-17(21(29)27(2)22(26)30)20(25-18(24-19)15-9-6-12-31-15)32-13-16(28)23-11-10-14-7-4-3-5-8-14/h3-9,12H,10-11,13H2,1-2H3,(H,23,28)