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

Systemtic Name: 4-[4-[4-(benzotriazol-1-yloxy)butanoyl]piperazin-1-yl]-6-ethyl-thieno[2,3-d]pyrimidine-2-carboxamide Openeye Name: 4-[4-[4-(benzotriazol-1-yloxy)butanoyl]piperazin-1-yl]-6-ethyl-thieno[2,3-d]pyrimidine-2-carboxamide CAS Name: 4-[4-[4-(1-benzotriazolyloxy)-1-oxobutyl]-1-piperazinyl]-6-ethyl-2-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 4-[4-[4-(benzotriazol-1-yloxy)butanoyl]piperazin-1-yl]-6-ethylthieno[2,3-d]pyrimidine-2-carboxamide Traditional Name: 4-[4-[4-(benzotriazol-1-yloxy)butanoyl]piperazino]-6-ethyl-thieno[2,3-d]pyrimidine-2-carboxamide Formula: C23H26N8O3S MolecularWeight: 494.56934

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(N=C(N=C2S1)C(=O)N)N3CCN(CC3)C(=O)CCCON4C5=CC=CC=C5N=N4

Isomeric SMILES

CCC1=CC2=C(N=C(N=C2S1)C(=O)N)N3CCN(CC3)C(=O)CCCON4C5=CC=CC=C5N=N4

InChI

InChI=1S/C23H26N8O3S/c1-2-15-14-16-22(25-21(20(24)33)26-23(16)35-15)30-11-9-29(10-12-30)19(32)8-5-13-34-31-18-7-4-3-6-17(18)27-28-31/h3-4,6-7,14H,2,5,8-13H2,1H3,(H2,24,33)