6-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-3-(3-methoxyphenyl)-[1,2,3]triazolo[4,5-d]pyrimidin-7-one

Systemtic Name: 6-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-3-(3-methoxyphenyl)-[1,2,3]triazolo[4,5-d]pyrimidin-7-one Openeye Name: 6-[(2-chloro-6-fluoro-phenyl)methyl]-3-(3-methoxyphenyl)triazolo[4,5-d]pyrimidin-7-one CAS Name: 6-[(2-chloro-6-fluorophenyl)methyl]-3-(3-methoxyphenyl)-7-triazolo[4,5-d]pyrimidinone IUPAC Name: 6-[(2-chloro-6-fluorophenyl)methyl]-3-(3-methoxyphenyl)triazolo[4,5-d]pyrimidin-7-one Traditional Name: 6-(2-chloro-6-fluoro-benzyl)-3-(3-methoxyphenyl)triazolo[4,5-d]pyrimidin-7-one Formula: C18H13ClFN5O2 MolecularWeight: 385.779523

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C3=C(C(=O)N(C=N3)CC4=C(C=CC=C4Cl)F)N=N2

Isomeric SMILES

COC1=CC=CC(=C1)N2C3=C(C(=O)N(C=N3)CC4=C(C=CC=C4Cl)F)N=N2

InChI

InChI=1S/C18H13ClFN5O2/c1-27-12-5-2-4-11(8-12)25-17-16(22-23-25)18(26)24(10-21-17)9-13-14(19)6-3-7-15(13)20/h2-8,10H,9H2,1H3