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

Systemtic Name: 5-[(2S)-1-(4-tert-butylphenyl)-1-oxidanylidene-propan-2-yl]sulfanyl-1,7-dicyclopropyl-4-oxidanylidene-pyrimido[4,5-d]pyrimidin-2-olate Openeye Name: 5-[(1S)-2-(4-tert-butylphenyl)-1-methyl-2-oxo-ethyl]sulfanyl-1,7-dicyclopropyl-4-oxo-pyrimido[4,5-d]pyrimidin-2-olate CAS Name: 5-[[(2S)-1-(4-tert-butylphenyl)-1-oxopropan-2-yl]thio]-1,7-dicyclopropyl-4-oxo-2-pyrimido[4,5-d]pyrimidinolate IUPAC Name: 5-[(2S)-1-(4-tert-butylphenyl)-1-oxopropan-2-yl]sulfanyl-1,7-dicyclopropyl-4-oxopyrimido[4,5-d]pyrimidin-2-olate Traditional Name: 5-[[(1S)-2-(4-tert-butylphenyl)-2-keto-1-methyl-ethyl]thio]-1,7-dicyclopropyl-4-keto-pyrimido[4,5-d]pyrimidin-2-olate Formula: C25H27N4O3S- MolecularWeight: 463.57188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N4O3S/c1-13(19(30)14-7-9-16(10-8-14)25(2,3)4)33-23-18-21(26-20(27-23)15-5-6-15)29(17-11-12-17)24(32)28-22(18)31/h7-10,13,15,17H,5-6,11-12H2,1-4H3,(H,28,31,32)/p-1/t13-/m0/s1