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

Systemtic Name: N-[2-chloranyl-5-(trifluoromethyl)phenyl]-2-[1,3-dimethyl-2,4-bis(oxidanylidene)-7-phenyl-pyrimido[4,5-d]pyrimidin-5-yl]sulfanyl-ethanamide Openeye Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(1,3-dimethyl-2,4-dioxo-7-phenyl-pyrimido[4,5-d]pyrimidin-5-yl)sulfanyl-acetamide CAS Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(1,3-dimethyl-2,4-dioxo-7-phenyl-5-pyrimido[4,5-d]pyrimidinyl)thio]acetamide IUPAC Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(1,3-dimethyl-2,4-dioxo-7-phenylpyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetamide Traditional Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(2,4-diketo-1,3-dimethyl-7-phenyl-pyrimido[4,5-d]pyrimidin-5-yl)thio]acetamide Formula: C23H17ClF3N5O3S MolecularWeight: 535.92599

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H17ClF3N5O3S/c1-31-19-17(21(34)32(2)22(31)35)20(30-18(29-19)12-6-4-3-5-7-12)36-11-16(33)28-15-10-13(23(25,26)27)8-9-14(15)24/h3-10H,11H2,1-2H3,(H,28,33)