5-[4-(7H-purin-6-yl)piperazin-1-yl]-8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridine

Systemtic Name: 5-[4-(7H-purin-6-yl)piperazin-1-yl]-8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridine Openeye Name: 5-[4-(7H-purin-6-yl)piperazin-1-yl]-8-(3-thienyl)-2-(trifluoromethyl)-1,6-naphthyridine CAS Name: 5-[4-(7H-purin-6-yl)-1-piperazinyl]-8-(3-thiophenyl)-2-(trifluoromethyl)-1,6-naphthyridine IUPAC Name: 5-[4-(7H-purin-6-yl)piperazin-1-yl]-8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridine Traditional Name: 5-[4-(7H-purin-6-yl)piperazino]-8-(3-thienyl)-2-(trifluoromethyl)-1,6-naphthyridine Formula: C22H17F3N8S MolecularWeight: 482.48419

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(C3=C2C=CC(=N3)C(F)(F)F)C4=CSC=C4)C5=NC=NC6=C5NC=N6

Isomeric SMILES

C1CN(CCN1C2=NC=C(C3=C2C=CC(=N3)C(F)(F)F)C4=CSC=C4)C5=NC=NC6=C5NC=N6

InChI

InChI=1S/C22H17F3N8S/c23-22(24,25)16-2-1-14-17(31-16)15(13-3-8-34-10-13)9-26-20(14)32-4-6-33(7-5-32)21-18-19(28-11-27-18)29-12-30-21/h1-3,8-12H,4-7H2,(H,27,28,29,30)