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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC3=C(C=CC=C3C4=CC=CS4)C=C2)C5=NC=NC6=C5NC=N6

Isomeric SMILES

C1CN(CCN1C2=NC3=C(C=CC=C3C4=CC=CS4)C=C2)C5=NC=NC6=C5NC=N6

InChI

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