1,7-dicyclopropyl-4-oxidanylidene-5-(quinolin-8-ylmethylsulfanyl)pyrimido[4,5-d]pyrimidin-2-olate

Systemtic Name: 1,7-dicyclopropyl-4-oxidanylidene-5-(quinolin-8-ylmethylsulfanyl)pyrimido[4,5-d]pyrimidin-2-olate Openeye Name: 1,7-dicyclopropyl-4-oxo-5-(8-quinolylmethylsulfanyl)pyrimido[4,5-d]pyrimidin-2-olate CAS Name: 1,7-dicyclopropyl-4-oxo-5-(8-quinolinylmethylthio)-2-pyrimido[4,5-d]pyrimidinolate IUPAC Name: 1,7-dicyclopropyl-4-oxo-5-(quinolin-8-ylmethylsulfanyl)pyrimido[4,5-d]pyrimidin-2-olate Traditional Name: 1,7-dicyclopropyl-4-keto-5-(8-quinolylmethylthio)pyrimido[4,5-d]pyrimidin-2-olate Formula: C22H18N5O2S- MolecularWeight: 416.47562

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC3=C(C(=N2)SCC4=CC=CC5=C4N=CC=C5)C(=O)N=C(N3C6CC6)[O-]

Isomeric SMILES

C1CC1C2=NC3=C(C(=N2)SCC4=CC=CC5=C4N=CC=C5)C(=O)N=C(N3C6CC6)[O-]

InChI

InChI=1S/C22H19N5O2S/c28-20-16-19(27(15-8-9-15)22(29)26-20)24-18(13-6-7-13)25-21(16)30-11-14-4-1-3-12-5-2-10-23-17(12)14/h1-5,10,13,15H,6-9,11H2,(H,26,28,29)/p-1