1,7-dicyclopropyl-5-[3-(4-fluoranylphenoxy)propylsulfanyl]-4-oxidanylidene-pyrimido[4,5-d]pyrimidin-2-olate

Systemtic Name: 1,7-dicyclopropyl-5-[3-(4-fluoranylphenoxy)propylsulfanyl]-4-oxidanylidene-pyrimido[4,5-d]pyrimidin-2-olate Openeye Name: 1,7-dicyclopropyl-5-[3-(4-fluorophenoxy)propylsulfanyl]-4-oxo-pyrimido[4,5-d]pyrimidin-2-olate CAS Name: 1,7-dicyclopropyl-5-[3-(4-fluorophenoxy)propylthio]-4-oxo-2-pyrimido[4,5-d]pyrimidinolate IUPAC Name: 1,7-dicyclopropyl-5-[3-(4-fluorophenoxy)propylsulfanyl]-4-oxopyrimido[4,5-d]pyrimidin-2-olate Traditional Name: 1,7-dicyclopropyl-5-[3-(4-fluorophenoxy)propylthio]-4-keto-pyrimido[4,5-d]pyrimidin-2-olate Formula: C21H20FN4O3S- MolecularWeight: 427.471903

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC3=C(C(=N2)SCCCOC4=CC=C(C=C4)F)C(=O)N=C(N3C5CC5)[O-]

Isomeric SMILES

C1CC1C2=NC3=C(C(=N2)SCCCOC4=CC=C(C=C4)F)C(=O)N=C(N3C5CC5)[O-]

InChI

InChI=1S/C21H21FN4O3S/c22-13-4-8-15(9-5-13)29-10-1-11-30-20-16-18(23-17(24-20)12-2-3-12)26(14-6-7-14)21(28)25-19(16)27/h4-5,8-9,12,14H,1-3,6-7,10-11H2,(H,25,27,28)/p-1