1,7-dicyclopropyl-4-oxidanylidene-5-[(3R)-2-oxidanylideneazepan-3-yl]sulfanyl-pyrimido[4,5-d]pyrimidin-2-olate

Systemtic Name: 1,7-dicyclopropyl-4-oxidanylidene-5-[(3R)-2-oxidanylideneazepan-3-yl]sulfanyl-pyrimido[4,5-d]pyrimidin-2-olate Openeye Name: 1,7-dicyclopropyl-4-oxo-5-[(3R)-2-oxoazepan-3-yl]sulfanyl-pyrimido[4,5-d]pyrimidin-2-olate CAS Name: 1,7-dicyclopropyl-4-oxo-5-[[(3R)-2-oxo-3-azepanyl]thio]-2-pyrimido[4,5-d]pyrimidinolate IUPAC Name: 1,7-dicyclopropyl-4-oxo-5-[(3R)-2-oxoazepan-3-yl]sulfanylpyrimido[4,5-d]pyrimidin-2-olate Traditional Name: 1,7-dicyclopropyl-4-keto-5-[[(3R)-2-ketoazepan-3-yl]thio]pyrimido[4,5-d]pyrimidin-2-olate Formula: C18H20N5O3S- MolecularWeight: 386.4481

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)SC2=NC(=NC3=C2C(=O)N=C(N3C4CC4)[O-])C5CC5

Isomeric SMILES

C1CCNC(=O)[C@@H](C1)SC2=NC(=NC3=C2C(=O)N=C(N3C4CC4)[O-])C5CC5

InChI

InChI=1S/C18H21N5O3S/c24-15-11(3-1-2-8-19-15)27-17-12-14(20-13(21-17)9-4-5-9)23(10-6-7-10)18(26)22-16(12)25/h9-11H,1-8H2,(H,19,24)(H,22,25,26)/p-1/t11-/m1/s1