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

Systemtic Name: 5-[(2S)-1-(tert-butylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-1,7-dicyclopropyl-4-oxidanylidene-pyrimido[4,5-d]pyrimidin-2-olate Openeye Name: 5-[(1S)-2-(tert-butylamino)-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)-1-oxopropan-2-yl]thio]-1,7-dicyclopropyl-4-oxo-2-pyrimido[4,5-d]pyrimidinolate IUPAC Name: 5-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]sulfanyl-1,7-dicyclopropyl-4-oxopyrimido[4,5-d]pyrimidin-2-olate Traditional Name: 5-[[(1S)-2-(tert-butylamino)-2-keto-1-methyl-ethyl]thio]-1,7-dicyclopropyl-4-keto-pyrimido[4,5-d]pyrimidin-2-olate Formula: C19H24N5O3S- MolecularWeight: 402.49056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N5O3S/c1-9(15(25)23-19(2,3)4)28-17-12-14(20-13(21-17)10-5-6-10)24(11-7-8-11)18(27)22-16(12)26/h9-11H,5-8H2,1-4H3,(H,23,25)(H,22,26,27)/p-1/t9-/m0/s1