5-[(3-cyanophenyl)methylsulfanyl]-1,7-dicyclopropyl-4-oxidanylidene-pyrimido[4,5-d]pyrimidin-2-olate

Systemtic Name: 5-[(3-cyanophenyl)methylsulfanyl]-1,7-dicyclopropyl-4-oxidanylidene-pyrimido[4,5-d]pyrimidin-2-olate Openeye Name: 5-[(3-cyanophenyl)methylsulfanyl]-1,7-dicyclopropyl-4-oxo-pyrimido[4,5-d]pyrimidin-2-olate CAS Name: 5-[(3-cyanophenyl)methylthio]-1,7-dicyclopropyl-4-oxo-2-pyrimido[4,5-d]pyrimidinolate IUPAC Name: 5-[(3-cyanophenyl)methylsulfanyl]-1,7-dicyclopropyl-4-oxopyrimido[4,5-d]pyrimidin-2-olate Traditional Name: 5-[(3-cyanobenzyl)thio]-1,7-dicyclopropyl-4-keto-pyrimido[4,5-d]pyrimidin-2-olate Formula: C20H16N5O2S- MolecularWeight: 390.43834

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC3=C(C(=N2)SCC4=CC=CC(=C4)C#N)C(=O)N=C(N3C5CC5)[O-]

Isomeric SMILES

C1CC1C2=NC3=C(C(=N2)SCC4=CC=CC(=C4)C#N)C(=O)N=C(N3C5CC5)[O-]

InChI

InChI=1S/C20H17N5O2S/c21-9-11-2-1-3-12(8-11)10-28-19-15-17(22-16(23-19)13-4-5-13)25(14-6-7-14)20(27)24-18(15)26/h1-3,8,13-14H,4-7,10H2,(H,24,26,27)/p-1