1-phenyl-7-pyridin-1-ium-4-yl-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione

Systemtic Name: 1-phenyl-7-pyridin-1-ium-4-yl-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 1-phenyl-7-pyridin-1-ium-4-yl-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 1-phenyl-7-(4-pyridin-1-iumyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 1-phenyl-7-pyridin-1-ium-4-yl-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 1-phenyl-7-pyridin-1-ium-4-yl-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C19H12F6N5O2+ MolecularWeight: 456.321299

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C(=O)NC2=O)C(N=C(N3)C4=CC=[NH+]C=C4)(C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C(=O)NC2=O)C(N=C(N3)C4=CC=[NH+]C=C4)(C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C19H11F6N5O2/c20-18(21,22)17(19(23,24)25)12-14(27-13(29-17)10-6-8-26-9-7-10)30(16(32)28-15(12)31)11-4-2-1-3-5-11/h1-9H,(H,27,29)(H,28,31,32)/p+1