4-[4-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[4-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-(benzofuro[3,2-d]pyrimidin-4-yl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-(4-benzofuro[3,2-d]pyrimidinyl)-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-(benzofuro[3,2-d]pyrimidin-4-yl)piperazino]sulfonylbenzonitrile Formula: C21H17N5O3S MolecularWeight: 419.45638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=NC3=C2OC4=CC=CC=C43)S(=O)(=O)C5=CC=C(C=C5)C#N

Isomeric SMILES

C1CN(CCN1C2=NC=NC3=C2OC4=CC=CC=C43)S(=O)(=O)C5=CC=C(C=C5)C#N

InChI

InChI=1S/C21H17N5O3S/c22-13-15-5-7-16(8-6-15)30(27,28)26-11-9-25(10-12-26)21-20-19(23-14-24-21)17-3-1-2-4-18(17)29-20/h1-8,14H,9-12H2