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

Systemtic Name: 1,7-dicyclopropyl-4-oxidanylidene-5-[(2S)-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl]sulfanyl-pyrimido[4,5-d]pyrimidin-2-olate Openeye Name: 1,7-dicyclopropyl-5-[(1S)-1-methyl-2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-4-oxo-pyrimido[4,5-d]pyrimidin-2-olate CAS Name: 1,7-dicyclopropyl-4-oxo-5-[[(2S)-1-oxo-1-(4-phenyl-1-piperazinyl)propan-2-yl]thio]-2-pyrimido[4,5-d]pyrimidinolate IUPAC Name: 1,7-dicyclopropyl-4-oxo-5-[(2S)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]sulfanylpyrimido[4,5-d]pyrimidin-2-olate Traditional Name: 1,7-dicyclopropyl-4-keto-5-[[(1S)-2-keto-1-methyl-2-(4-phenylpiperazino)ethyl]thio]pyrimido[4,5-d]pyrimidin-2-olate Formula: C25H27N6O3S- MolecularWeight: 491.58528

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=CC=CC=C2)SC3=NC(=NC4=C3C(=O)N=C(N4C5CC5)[O-])C6CC6

Isomeric SMILES

C[C@@H](C(=O)N1CCN(CC1)C2=CC=CC=C2)SC3=NC(=NC4=C3C(=O)N=C(N4C5CC5)[O-])C6CC6

InChI

InChI=1S/C25H28N6O3S/c1-15(24(33)30-13-11-29(12-14-30)17-5-3-2-4-6-17)35-23-19-21(26-20(27-23)16-7-8-16)31(18-9-10-18)25(34)28-22(19)32/h2-6,15-16,18H,7-14H2,1H3,(H,28,32,34)/p-1/t15-/m0/s1