1,7-dicyclopropyl-5-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]sulfanyl-4-oxidanylidene-pyrimido[4,5-d]pyrimidin-2-olate

Systemtic Name: 1,7-dicyclopropyl-5-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]sulfanyl-4-oxidanylidene-pyrimido[4,5-d]pyrimidin-2-olate Openeye Name: 1,7-dicyclopropyl-5-[4-(4-fluorophenyl)-4-oxo-butyl]sulfanyl-4-oxo-pyrimido[4,5-d]pyrimidin-2-olate CAS Name: 1,7-dicyclopropyl-5-[[4-(4-fluorophenyl)-4-oxobutyl]thio]-4-oxo-2-pyrimido[4,5-d]pyrimidinolate IUPAC Name: 1,7-dicyclopropyl-5-[4-(4-fluorophenyl)-4-oxobutyl]sulfanyl-4-oxopyrimido[4,5-d]pyrimidin-2-olate Traditional Name: 1,7-dicyclopropyl-5-[[4-(4-fluorophenyl)-4-keto-butyl]thio]-4-keto-pyrimido[4,5-d]pyrimidin-2-olate Formula: C22H20FN4O3S- MolecularWeight: 439.482603

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC3=C(C(=N2)SCCCC(=O)C4=CC=C(C=C4)F)C(=O)N=C(N3C5CC5)[O-]

Isomeric SMILES

C1CC1C2=NC3=C(C(=N2)SCCCC(=O)C4=CC=C(C=C4)F)C(=O)N=C(N3C5CC5)[O-]

InChI

InChI=1S/C22H21FN4O3S/c23-14-7-5-12(6-8-14)16(28)2-1-11-31-21-17-19(24-18(25-21)13-3-4-13)27(15-9-10-15)22(30)26-20(17)29/h5-8,13,15H,1-4,9-11H2,(H,26,29,30)/p-1