2-[4-(2-thiophen-3-ylquinazolin-4-yl)piperazin-1-yl]pyridine-4-carbonitrile

Systemtic Name: 2-[4-(2-thiophen-3-ylquinazolin-4-yl)piperazin-1-yl]pyridine-4-carbonitrile Openeye Name: 2-[4-[2-(3-thienyl)quinazolin-4-yl]piperazin-1-yl]pyridine-4-carbonitrile CAS Name: 2-[4-[2-(3-thiophenyl)-4-quinazolinyl]-1-piperazinyl]-4-pyridinecarbonitrile IUPAC Name: 2-[4-(2-thiophen-3-ylquinazolin-4-yl)piperazin-1-yl]pyridine-4-carbonitrile Traditional Name: 2-[4-[2-(3-thienyl)quinazolin-4-yl]piperazino]isonicotinonitrile Formula: C22H18N6S MolecularWeight: 398.48352

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC(=C2)C#N)C3=NC(=NC4=CC=CC=C43)C5=CSC=C5

Isomeric SMILES

C1CN(CCN1C2=NC=CC(=C2)C#N)C3=NC(=NC4=CC=CC=C43)C5=CSC=C5

InChI

InChI=1S/C22H18N6S/c23-14-16-5-7-24-20(13-16)27-8-10-28(11-9-27)22-18-3-1-2-4-19(18)25-21(26-22)17-6-12-29-15-17/h1-7,12-13,15H,8-11H2