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

Systemtic Name: 1,7-dicyclopropyl-5-[(2-methylphenyl)methylsulfanyl]-4-oxidanylidene-pyrimido[4,5-d]pyrimidin-2-olate Openeye Name: 1,7-dicyclopropyl-5-(o-tolylmethylsulfanyl)-4-oxo-pyrimido[4,5-d]pyrimidin-2-olate CAS Name: 1,7-dicyclopropyl-5-[(2-methylphenyl)methylthio]-4-oxo-2-pyrimido[4,5-d]pyrimidinolate IUPAC Name: 1,7-dicyclopropyl-5-[(2-methylphenyl)methylsulfanyl]-4-oxopyrimido[4,5-d]pyrimidin-2-olate Traditional Name: 1,7-dicyclopropyl-4-keto-5-[(2-methylbenzyl)thio]pyrimido[4,5-d]pyrimidin-2-olate Formula: C20H19N4O2S- MolecularWeight: 379.45546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NC(=NC3=C2C(=O)N=C(N3C4CC4)[O-])C5CC5

Isomeric SMILES

CC1=CC=CC=C1CSC2=NC(=NC3=C2C(=O)N=C(N3C4CC4)[O-])C5CC5

InChI

InChI=1S/C20H20N4O2S/c1-11-4-2-3-5-13(11)10-27-19-15-17(21-16(22-19)12-6-7-12)24(14-8-9-14)20(26)23-18(15)25/h2-5,12,14H,6-10H2,1H3,(H,23,25,26)/p-1