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

Systemtic Name: 5-[(2S)-1-(tert-butylcarbamoylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-1,7-dicyclopropyl-4-oxidanylidene-pyrimido[4,5-d]pyrimidin-2-olate Openeye Name: 5-[(1S)-2-(tert-butylcarbamoylamino)-1-methyl-2-oxo-ethyl]sulfanyl-1,7-dicyclopropyl-4-oxo-pyrimido[4,5-d]pyrimidin-2-olate CAS Name: 5-[[(2S)-1-[[(tert-butylamino)-oxomethyl]amino]-1-oxopropan-2-yl]thio]-1,7-dicyclopropyl-4-oxo-2-pyrimido[4,5-d]pyrimidinolate IUPAC Name: 5-[(2S)-1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl]sulfanyl-1,7-dicyclopropyl-4-oxopyrimido[4,5-d]pyrimidin-2-olate Traditional Name: 5-[[(1S)-2-(tert-butylcarbamoylamino)-2-keto-1-methyl-ethyl]thio]-1,7-dicyclopropyl-4-keto-pyrimido[4,5-d]pyrimidin-2-olate Formula: C20H25N6O4S- MolecularWeight: 445.5153

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC(C)(C)C)SC1=NC(=NC2=C1C(=O)N=C(N2C3CC3)[O-])C4CC4

Isomeric SMILES

C[C@@H](C(=O)NC(=O)NC(C)(C)C)SC1=NC(=NC2=C1C(=O)N=C(N2C3CC3)[O-])C4CC4

InChI

InChI=1S/C20H26N6O4S/c1-9(15(27)23-18(29)25-20(2,3)4)31-17-12-14(21-13(22-17)10-5-6-10)26(11-7-8-11)19(30)24-16(12)28/h9-11H,5-8H2,1-4H3,(H,24,28,30)(H2,23,25,27,29)/p-1/t9-/m0/s1