6-[4-(3-thiophen-2-ylphenoxy)piperidin-1-yl]-7H-purine

Systemtic Name: 6-[4-(3-thiophen-2-ylphenoxy)piperidin-1-yl]-7H-purine Openeye Name: 6-[4-[3-(2-thienyl)phenoxy]-1-piperidyl]-7H-purine CAS Name: 6-[4-(3-thiophen-2-ylphenoxy)-1-piperidinyl]-7H-purine IUPAC Name: 6-[4-(3-thiophen-2-ylphenoxy)piperidin-1-yl]-7H-purine Traditional Name: 6-[4-[3-(2-thienyl)phenoxy]piperidino]-7H-purine Formula: C20H19N5OS MolecularWeight: 377.46276

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1OC2=CC=CC(=C2)C3=CC=CS3)C4=NC=NC5=C4NC=N5

Isomeric SMILES

C1CN(CCC1OC2=CC=CC(=C2)C3=CC=CS3)C4=NC=NC5=C4NC=N5

InChI

InChI=1S/C20H19N5OS/c1-3-14(17-5-2-10-27-17)11-16(4-1)26-15-6-8-25(9-7-15)20-18-19(22-12-21-18)23-13-24-20/h1-5,10-13,15H,6-9H2,(H,21,22,23,24)