4-[4-[4-(benzotriazol-1-yloxy)butanoyl]piperazin-1-yl]thieno[2,3-d]pyrimidine-6-carbonitrile

Systemtic Name: 4-[4-[4-(benzotriazol-1-yloxy)butanoyl]piperazin-1-yl]thieno[2,3-d]pyrimidine-6-carbonitrile Openeye Name: 4-[4-[4-(benzotriazol-1-yloxy)butanoyl]piperazin-1-yl]thieno[2,3-d]pyrimidine-6-carbonitrile CAS Name: 4-[4-[4-(1-benzotriazolyloxy)-1-oxobutyl]-1-piperazinyl]-6-thieno[2,3-d]pyrimidinecarbonitrile IUPAC Name: 4-[4-[4-(benzotriazol-1-yloxy)butanoyl]piperazin-1-yl]thieno[2,3-d]pyrimidine-6-carbonitrile Traditional Name: 4-[4-[4-(benzotriazol-1-yloxy)butanoyl]piperazino]thieno[2,3-d]pyrimidine-6-carbonitrile Formula: C21H20N8O2S MolecularWeight: 448.5009

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C3C=C(SC3=NC=N2)C#N)C(=O)CCCON4C5=CC=CC=C5N=N4

Isomeric SMILES

C1CN(CCN1C2=C3C=C(SC3=NC=N2)C#N)C(=O)CCCON4C5=CC=CC=C5N=N4

InChI

InChI=1S/C21H20N8O2S/c22-13-15-12-16-20(23-14-24-21(16)32-15)28-9-7-27(8-10-28)19(30)6-3-11-31-29-18-5-2-1-4-17(18)25-26-29/h1-2,4-5,12,14H,3,6-11H2