9-(3,4-dihydro-2H-chromen-4-yl)-2-(6-fluoranylbenzimidazol-1-yl)-N-methyl-8-oxidanylidene-7H-purine-6-carboxamide

Systemtic Name: 9-(3,4-dihydro-2H-chromen-4-yl)-2-(6-fluoranylbenzimidazol-1-yl)-N-methyl-8-oxidanylidene-7H-purine-6-carboxamide Openeye Name: 9-chroman-4-yl-2-(6-fluorobenzimidazol-1-yl)-N-methyl-8-oxo-7H-purine-6-carboxamide CAS Name: 9-(3,4-dihydro-2H-1-benzopyran-4-yl)-2-(6-fluoro-1-benzimidazolyl)-N-methyl-8-oxo-7H-purine-6-carboxamide IUPAC Name: 9-(3,4-dihydro-2H-chromen-4-yl)-2-(6-fluorobenzimidazol-1-yl)-N-methyl-8-oxo-7H-purine-6-carboxamide Traditional Name: 9-chroman-4-yl-2-(6-fluorobenzimidazol-1-yl)-8-keto-N-methyl-7H-purine-6-carboxamide Formula: C23H18FN7O3 MolecularWeight: 459.432523

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=C2C(=NC(=N1)N3C=NC4=C3C=C(C=C4)F)N(C(=O)N2)C5CCOC6=CC=CC=C56

Isomeric SMILES

CNC(=O)C1=C2C(=NC(=N1)N3C=NC4=C3C=C(C=C4)F)N(C(=O)N2)C5CCOC6=CC=CC=C56

InChI

InChI=1S/C23H18FN7O3/c1-25-21(32)19-18-20(29-22(27-19)30-11-26-14-7-6-12(24)10-16(14)30)31(23(33)28-18)15-8-9-34-17-5-3-2-4-13(15)17/h2-7,10-11,15H,8-9H2,1H3,(H,25,32)(H,28,33)