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

Systemtic Name: 5-[(5-chloranyl-2-methoxy-phenyl)methylsulfanyl]-1,7-dicyclopropyl-4-oxidanylidene-pyrimido[4,5-d]pyrimidin-2-olate Openeye Name: 5-[(5-chloro-2-methoxy-phenyl)methylsulfanyl]-1,7-dicyclopropyl-4-oxo-pyrimido[4,5-d]pyrimidin-2-olate CAS Name: 5-[(5-chloro-2-methoxyphenyl)methylthio]-1,7-dicyclopropyl-4-oxo-2-pyrimido[4,5-d]pyrimidinolate IUPAC Name: 5-[(5-chloro-2-methoxyphenyl)methylsulfanyl]-1,7-dicyclopropyl-4-oxopyrimido[4,5-d]pyrimidin-2-olate Traditional Name: 5-[(5-chloro-2-methoxy-benzyl)thio]-1,7-dicyclopropyl-4-keto-pyrimido[4,5-d]pyrimidin-2-olate Formula: C20H18ClN4O3S- MolecularWeight: 429.89992

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)CSC2=NC(=NC3=C2C(=O)N=C(N3C4CC4)[O-])C5CC5

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)CSC2=NC(=NC3=C2C(=O)N=C(N3C4CC4)[O-])C5CC5

InChI

InChI=1S/C20H19ClN4O3S/c1-28-14-7-4-12(21)8-11(14)9-29-19-15-17(22-16(23-19)10-2-3-10)25(13-5-6-13)20(27)24-18(15)26/h4,7-8,10,13H,2-3,5-6,9H2,1H3,(H,24,26,27)/p-1