8-phenyl-5-[4-(7H-purin-6-yl)-1,4-diazepan-1-yl]-2-(trifluoromethyl)-1,6-naphthyridine

Systemtic Name: 8-phenyl-5-[4-(7H-purin-6-yl)-1,4-diazepan-1-yl]-2-(trifluoromethyl)-1,6-naphthyridine Openeye Name: 8-phenyl-5-[4-(7H-purin-6-yl)-1,4-diazepan-1-yl]-2-(trifluoromethyl)-1,6-naphthyridine CAS Name: 8-phenyl-5-[4-(7H-purin-6-yl)-1,4-diazepan-1-yl]-2-(trifluoromethyl)-1,6-naphthyridine IUPAC Name: 8-phenyl-5-[4-(7H-purin-6-yl)-1,4-diazepan-1-yl]-2-(trifluoromethyl)-1,6-naphthyridine Traditional Name: 8-phenyl-5-[4-(7H-purin-6-yl)-1,4-diazepan-1-yl]-2-(trifluoromethyl)-1,6-naphthyridine Formula: C25H21F3N8 MolecularWeight: 490.48305

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C2=NC=NC3=C2NC=N3)C4=NC=C(C5=C4C=CC(=N5)C(F)(F)F)C6=CC=CC=C6

Isomeric SMILES

C1CN(CCN(C1)C2=NC=NC3=C2NC=N3)C4=NC=C(C5=C4C=CC(=N5)C(F)(F)F)C6=CC=CC=C6

InChI

InChI=1S/C25H21F3N8/c26-25(27,28)19-8-7-17-20(34-19)18(16-5-2-1-3-6-16)13-29-23(17)35-9-4-10-36(12-11-35)24-21-22(31-14-30-21)32-15-33-24/h1-3,5-8,13-15H,4,9-12H2,(H,30,31,32,33)