2-[4-(7H-purin-6-yl)piperazin-1-yl]-8-thiophen-3-yl-quinoline

Systemtic Name: 2-[4-(7H-purin-6-yl)piperazin-1-yl]-8-thiophen-3-yl-quinoline Openeye Name: 2-[4-(7H-purin-6-yl)piperazin-1-yl]-8-(3-thienyl)quinoline CAS Name: 2-[4-(7H-purin-6-yl)-1-piperazinyl]-8-(3-thiophenyl)quinoline IUPAC Name: 2-[4-(7H-purin-6-yl)piperazin-1-yl]-8-thiophen-3-ylquinoline Traditional Name: 2-[4-(7H-purin-6-yl)piperazino]-8-(3-thienyl)quinoline Formula: C22H19N7S MolecularWeight: 413.49816

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC3=C(C=CC=C3C4=CSC=C4)C=C2)C5=NC=NC6=C5NC=N6

Isomeric SMILES

C1CN(CCN1C2=NC3=C(C=CC=C3C4=CSC=C4)C=C2)C5=NC=NC6=C5NC=N6

InChI

InChI=1S/C22H19N7S/c1-2-15-4-5-18(27-19(15)17(3-1)16-6-11-30-12-16)28-7-9-29(10-8-28)22-20-21(24-13-23-20)25-14-26-22/h1-6,11-14H,7-10H2,(H,23,24,25,26)