1-[4-(2-azanyl-6-ethyl-thieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-4-(benzotriazol-1-yloxy)butan-1-one

Systemtic Name: 1-[4-(2-azanyl-6-ethyl-thieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-4-(benzotriazol-1-yloxy)butan-1-one Openeye Name: 1-[4-(2-amino-6-ethyl-thieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-4-(benzotriazol-1-yloxy)butan-1-one CAS Name: 1-[4-(2-amino-6-ethyl-4-thieno[2,3-d]pyrimidinyl)-1-piperazinyl]-4-(1-benzotriazolyloxy)-1-butanone IUPAC Name: 1-[4-(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-4-(benzotriazol-1-yloxy)butan-1-one Traditional Name: 1-[4-(2-amino-6-ethyl-thieno[2,3-d]pyrimidin-4-yl)piperazino]-4-(benzotriazol-1-yloxy)butan-1-one Formula: C22H26N8O2S MolecularWeight: 466.55924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N8O2S/c1-2-15-14-16-20(24-22(23)25-21(16)33-15)29-11-9-28(10-12-29)19(31)8-5-13-32-30-18-7-4-3-6-17(18)26-27-30/h3-4,6-7,14H,2,5,8-13H2,1H3,(H2,23,24,25)