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

Systemtic Name: 1,7-dicyclopropyl-5-[(2-methoxyphenyl)methylsulfanyl]-4-oxidanylidene-pyrimido[4,5-d]pyrimidin-2-olate Openeye Name: 1,7-dicyclopropyl-5-[(2-methoxyphenyl)methylsulfanyl]-4-oxo-pyrimido[4,5-d]pyrimidin-2-olate CAS Name: 1,7-dicyclopropyl-5-[(2-methoxyphenyl)methylthio]-4-oxo-2-pyrimido[4,5-d]pyrimidinolate IUPAC Name: 1,7-dicyclopropyl-5-[(2-methoxyphenyl)methylsulfanyl]-4-oxopyrimido[4,5-d]pyrimidin-2-olate Traditional Name: 1,7-dicyclopropyl-4-keto-5-(o-anisylthio)pyrimido[4,5-d]pyrimidin-2-olate Formula: C20H19N4O3S- MolecularWeight: 395.45486

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CSC2=NC(=NC3=C2C(=O)N=C(N3C4CC4)[O-])C5CC5

Isomeric SMILES

COC1=CC=CC=C1CSC2=NC(=NC3=C2C(=O)N=C(N3C4CC4)[O-])C5CC5

InChI

InChI=1S/C20H20N4O3S/c1-27-14-5-3-2-4-12(14)10-28-19-15-17(21-16(22-19)11-6-7-11)24(13-8-9-13)20(26)23-18(15)25/h2-5,11,13H,6-10H2,1H3,(H,23,25,26)/p-1