2-[4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]pyridine-4-carbonitrile

Systemtic Name: 2-[4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]pyridine-4-carbonitrile Openeye Name: 2-[4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]pyridine-4-carbonitrile CAS Name: 2-[4-(6-phenyl-4-thieno[2,3-d]pyrimidinyl)-1-piperazinyl]-4-pyridinecarbonitrile IUPAC Name: 2-[4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]pyridine-4-carbonitrile Traditional Name: 2-[4-(6-phenylthieno[2,3-d]pyrimidin-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=C4C=C(SC4=NC=N3)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=NC=CC(=C2)C#N)C3=C4C=C(SC4=NC=N3)C5=CC=CC=C5

InChI

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