1,7-dicyclopropyl-5-[(2R)-3-naphthalen-2-yloxy-2-oxidanyl-propyl]sulfanyl-4-oxidanylidene-pyrimido[4,5-d]pyrimidin-2-olate

Systemtic Name: 1,7-dicyclopropyl-5-[(2R)-3-naphthalen-2-yloxy-2-oxidanyl-propyl]sulfanyl-4-oxidanylidene-pyrimido[4,5-d]pyrimidin-2-olate Openeye Name: 1,7-dicyclopropyl-5-[(2R)-2-hydroxy-3-(2-naphthyloxy)propyl]sulfanyl-4-oxo-pyrimido[4,5-d]pyrimidin-2-olate CAS Name: 1,7-dicyclopropyl-5-[[(2R)-2-hydroxy-3-(2-naphthalenyloxy)propyl]thio]-4-oxo-2-pyrimido[4,5-d]pyrimidinolate IUPAC Name: 1,7-dicyclopropyl-5-[(2R)-2-hydroxy-3-naphthalen-2-yloxypropyl]sulfanyl-4-oxopyrimido[4,5-d]pyrimidin-2-olate Traditional Name: 1,7-dicyclopropyl-5-[[(2R)-2-hydroxy-3-(2-naphthoxy)propyl]thio]-4-keto-pyrimido[4,5-d]pyrimidin-2-olate Formula: C25H23N4O4S- MolecularWeight: 475.53952

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC3=C(C(=N2)SCC(COC4=CC5=CC=CC=C5C=C4)O)C(=O)N=C(N3C6CC6)[O-]

Isomeric SMILES

C1CC1C2=NC3=C(C(=N2)SC[C@@H](COC4=CC5=CC=CC=C5C=C4)O)C(=O)N=C(N3C6CC6)[O-]

InChI

InChI=1S/C25H24N4O4S/c30-18(12-33-19-10-7-14-3-1-2-4-16(14)11-19)13-34-24-20-22(26-21(27-24)15-5-6-15)29(17-8-9-17)25(32)28-23(20)31/h1-4,7,10-11,15,17-18,30H,5-6,8-9,12-13H2,(H,28,31,32)/p-1/t18-/m1/s1