4-azanyl-N-[(4-chloranyl-2-fluoranyl-phenyl)methyl]-1-(8-oxidanylidene-7,9-dihydropurin-6-yl)piperidine-4-carboxamide

Systemtic Name: 4-azanyl-N-[(4-chloranyl-2-fluoranyl-phenyl)methyl]-1-(8-oxidanylidene-7,9-dihydropurin-6-yl)piperidine-4-carboxamide Openeye Name: 4-amino-N-[(4-chloro-2-fluoro-phenyl)methyl]-1-(8-oxo-7,9-dihydropurin-6-yl)piperidine-4-carboxamide CAS Name: 4-amino-N-[(4-chloro-2-fluorophenyl)methyl]-1-(8-oxo-7,9-dihydropurin-6-yl)-4-piperidinecarboxamide IUPAC Name: 4-amino-N-[(4-chloro-2-fluorophenyl)methyl]-1-(8-oxo-7,9-dihydropurin-6-yl)piperidine-4-carboxamide Traditional Name: 4-amino-N-(4-chloro-2-fluoro-benzyl)-1-(8-keto-7,9-dihydropurin-6-yl)isonipecotamide Formula: C18H19ClFN7O2 MolecularWeight: 419.840563

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C(=O)NCC2=C(C=C(C=C2)Cl)F)N)C3=NC=NC4=C3NC(=O)N4

Isomeric SMILES

C1CN(CCC1(C(=O)NCC2=C(C=C(C=C2)Cl)F)N)C3=NC=NC4=C3NC(=O)N4

InChI

InChI=1S/C18H19ClFN7O2/c19-11-2-1-10(12(20)7-11)8-22-16(28)18(21)3-5-27(6-4-18)15-13-14(23-9-24-15)26-17(29)25-13/h1-2,7,9H,3-6,8,21H2,(H,22,28)(H2,23,24,25,26,29)