4-[2-(6-fluoranylbenzimidazol-1-yl)-9-(8-fluoranyl-3,4-dihydro-2H-chromen-4-yl)-8-oxidanylidene-7H-purin-6-yl]butanenitrile

Systemtic Name: 4-[2-(6-fluoranylbenzimidazol-1-yl)-9-(8-fluoranyl-3,4-dihydro-2H-chromen-4-yl)-8-oxidanylidene-7H-purin-6-yl]butanenitrile Openeye Name: 4-[2-(6-fluorobenzimidazol-1-yl)-9-(8-fluorochroman-4-yl)-8-oxo-7H-purin-6-yl]butanenitrile CAS Name: 4-[2-(6-fluoro-1-benzimidazolyl)-9-(8-fluoro-3,4-dihydro-2H-1-benzopyran-4-yl)-8-oxo-7H-purin-6-yl]butanenitrile IUPAC Name: 4-[2-(6-fluorobenzimidazol-1-yl)-9-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)-8-oxo-7H-purin-6-yl]butanenitrile Traditional Name: 4-[2-(6-fluorobenzimidazol-1-yl)-9-(8-fluorochroman-4-yl)-8-keto-7H-purin-6-yl]butyronitrile Formula: C25H19F2N7O2 MolecularWeight: 487.460866

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C1N3C4=NC(=NC(=C4NC3=O)CCCC#N)N5C=NC6=C5C=C(C=C6)F)C=CC=C2F

Isomeric SMILES

C1COC2=C(C1N3C4=NC(=NC(=C4NC3=O)CCCC#N)N5C=NC6=C5C=C(C=C6)F)C=CC=C2F

InChI

InChI=1S/C25H19F2N7O2/c26-14-7-8-17-20(12-14)33(13-29-17)24-30-18(6-1-2-10-28)21-23(32-24)34(25(35)31-21)19-9-11-36-22-15(19)4-3-5-16(22)27/h3-5,7-8,12-13,19H,1-2,6,9,11H2,(H,31,35)