1,7-dicyclopropyl-4-oxidanylidene-5-[(1R)-2-oxidanylidene-1-phenyl-2-phenylazanyl-ethyl]sulfanyl-pyrimido[4,5-d]pyrimidin-2-olate

Systemtic Name: 1,7-dicyclopropyl-4-oxidanylidene-5-[(1R)-2-oxidanylidene-1-phenyl-2-phenylazanyl-ethyl]sulfanyl-pyrimido[4,5-d]pyrimidin-2-olate Openeye Name: 5-[(1R)-2-anilino-2-oxo-1-phenyl-ethyl]sulfanyl-1,7-dicyclopropyl-4-oxo-pyrimido[4,5-d]pyrimidin-2-olate CAS Name: 5-[[(1R)-2-anilino-2-oxo-1-phenylethyl]thio]-1,7-dicyclopropyl-4-oxo-2-pyrimido[4,5-d]pyrimidinolate IUPAC Name: 5-[(1R)-2-anilino-2-oxo-1-phenylethyl]sulfanyl-1,7-dicyclopropyl-4-oxopyrimido[4,5-d]pyrimidin-2-olate Traditional Name: 5-[[(1R)-2-anilino-2-keto-1-phenyl-ethyl]thio]-1,7-dicyclopropyl-4-keto-pyrimido[4,5-d]pyrimidin-2-olate Formula: C26H22N5O3S- MolecularWeight: 484.54958

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC3=C(C(=N2)SC(C4=CC=CC=C4)C(=O)NC5=CC=CC=C5)C(=O)N=C(N3C6CC6)[O-]

Isomeric SMILES

C1CC1C2=NC3=C(C(=N2)S[C@H](C4=CC=CC=C4)C(=O)NC5=CC=CC=C5)C(=O)N=C(N3C6CC6)[O-]

InChI

InChI=1S/C26H23N5O3S/c32-23-19-22(31(18-13-14-18)26(34)30-23)28-21(16-11-12-16)29-25(19)35-20(15-7-3-1-4-8-15)24(33)27-17-9-5-2-6-10-17/h1-10,16,18,20H,11-14H2,(H,27,33)(H,30,32,34)/p-1/t20-/m1/s1