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

Systemtic Name: 1-[4-(2-azido-6-ethyl-thieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-4-(benzotriazol-1-yloxy)butan-1-one Openeye Name: 1-[4-(2-azido-6-ethyl-thieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-4-(benzotriazol-1-yloxy)butan-1-one CAS Name: 1-[4-(2-azido-6-ethyl-4-thieno[2,3-d]pyrimidinyl)-1-piperazinyl]-4-(1-benzotriazolyloxy)-1-butanone IUPAC Name: 1-[4-(2-azido-6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-4-(benzotriazol-1-yloxy)butan-1-one Traditional Name: 1-[4-(2-azido-6-ethyl-thieno[2,3-d]pyrimidin-4-yl)piperazino]-4-(benzotriazol-1-yloxy)butan-1-one Formula: C22H24N10O2S MolecularWeight: 492.55676

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(N=C(N=C2S1)N=[N+]=[N-])N3CCN(CC3)C(=O)CCCON4C5=CC=CC=C5N=N4

Isomeric SMILES

CCC1=CC2=C(N=C(N=C2S1)N=[N+]=[N-])N3CCN(CC3)C(=O)CCCON4C5=CC=CC=C5N=N4

InChI

InChI=1S/C22H24N10O2S/c1-2-15-14-16-20(24-22(27-28-23)25-21(16)35-15)31-11-9-30(10-12-31)19(33)8-5-13-34-32-18-7-4-3-6-17(18)26-29-32/h3-4,6-7,14H,2,5,8-13H2,1H3