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

Systemtic Name: 1,7-dicyclopropyl-5-[(4-nitrophenyl)methylsulfanyl]-4-oxidanylidene-pyrimido[4,5-d]pyrimidin-2-olate Openeye Name: 1,7-dicyclopropyl-5-[(4-nitrophenyl)methylsulfanyl]-4-oxo-pyrimido[4,5-d]pyrimidin-2-olate CAS Name: 1,7-dicyclopropyl-5-[(4-nitrophenyl)methylthio]-4-oxo-2-pyrimido[4,5-d]pyrimidinolate IUPAC Name: 1,7-dicyclopropyl-5-[(4-nitrophenyl)methylsulfanyl]-4-oxopyrimido[4,5-d]pyrimidin-2-olate Traditional Name: 1,7-dicyclopropyl-4-keto-5-[(4-nitrobenzyl)thio]pyrimido[4,5-d]pyrimidin-2-olate Formula: C19H16N5O4S- MolecularWeight: 410.42644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N5O4S/c25-17-14-16(23(12-7-8-12)19(26)22-17)20-15(11-3-4-11)21-18(14)29-9-10-1-5-13(6-2-10)24(27)28/h1-2,5-6,11-12H,3-4,7-9H2,(H,22,25,26)/p-1