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

Systemtic Name: 2-[1,3-dimethyl-2,4-bis(oxidanylidene)-7-phenyl-pyrimido[4,5-d]pyrimidin-5-yl]sulfanyl-N-(3-fluorophenyl)ethanamide Openeye Name: 2-(1,3-dimethyl-2,4-dioxo-7-phenyl-pyrimido[4,5-d]pyrimidin-5-yl)sulfanyl-N-(3-fluorophenyl)acetamide CAS Name: 2-[(1,3-dimethyl-2,4-dioxo-7-phenyl-5-pyrimido[4,5-d]pyrimidinyl)thio]-N-(3-fluorophenyl)acetamide IUPAC Name: 2-(1,3-dimethyl-2,4-dioxo-7-phenylpyrimido[4,5-d]pyrimidin-5-yl)sulfanyl-N-(3-fluorophenyl)acetamide Traditional Name: 2-[(2,4-diketo-1,3-dimethyl-7-phenyl-pyrimido[4,5-d]pyrimidin-5-yl)thio]-N-(3-fluorophenyl)acetamide Formula: C22H18FN5O3S MolecularWeight: 451.473423

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC(=N2)C3=CC=CC=C3)SCC(=O)NC4=CC(=CC=C4)F)C(=O)N(C1=O)C

Isomeric SMILES

CN1C2=C(C(=NC(=N2)C3=CC=CC=C3)SCC(=O)NC4=CC(=CC=C4)F)C(=O)N(C1=O)C

InChI

InChI=1S/C22H18FN5O3S/c1-27-19-17(21(30)28(2)22(27)31)20(26-18(25-19)13-7-4-3-5-8-13)32-12-16(29)24-15-10-6-9-14(23)11-15/h3-11H,12H2,1-2H3,(H,24,29)