1,7-dicyclopropyl-4-oxidanylidene-5-[(2S)-1-oxidanylidene-1-phenyl-propan-2-yl]sulfanyl-pyrimido[4,5-d]pyrimidin-2-olate

Systemtic Name: 1,7-dicyclopropyl-4-oxidanylidene-5-[(2S)-1-oxidanylidene-1-phenyl-propan-2-yl]sulfanyl-pyrimido[4,5-d]pyrimidin-2-olate Openeye Name: 1,7-dicyclopropyl-5-[(1S)-1-methyl-2-oxo-2-phenyl-ethyl]sulfanyl-4-oxo-pyrimido[4,5-d]pyrimidin-2-olate CAS Name: 1,7-dicyclopropyl-4-oxo-5-[[(2S)-1-oxo-1-phenylpropan-2-yl]thio]-2-pyrimido[4,5-d]pyrimidinolate IUPAC Name: 1,7-dicyclopropyl-4-oxo-5-[(2S)-1-oxo-1-phenylpropan-2-yl]sulfanylpyrimido[4,5-d]pyrimidin-2-olate Traditional Name: 1,7-dicyclopropyl-4-keto-5-[[(1S)-2-keto-1-methyl-2-phenyl-ethyl]thio]pyrimido[4,5-d]pyrimidin-2-olate Formula: C21H19N4O3S- MolecularWeight: 407.46556

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=CC=C1)SC2=NC(=NC3=C2C(=O)N=C(N3C4CC4)[O-])C5CC5

Isomeric SMILES

C[C@@H](C(=O)C1=CC=CC=C1)SC2=NC(=NC3=C2C(=O)N=C(N3C4CC4)[O-])C5CC5

InChI

InChI=1S/C21H20N4O3S/c1-11(16(26)12-5-3-2-4-6-12)29-20-15-18(22-17(23-20)13-7-8-13)25(14-9-10-14)21(28)24-19(15)27/h2-6,11,13-14H,7-10H2,1H3,(H,24,27,28)/p-1/t11-/m0/s1