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

Systemtic Name: 4-(benzotriazol-1-yloxy)-1-[4-(6-ethanoylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-one Openeye Name: 1-[4-(6-acetylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-4-(benzotriazol-1-yloxy)butan-1-one CAS Name: 1-[4-(6-acetyl-4-thieno[2,3-d]pyrimidinyl)-1-piperazinyl]-4-(1-benzotriazolyloxy)-1-butanone IUPAC Name: 1-[4-(6-acetylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-4-(benzotriazol-1-yloxy)butan-1-one Traditional Name: 1-[4-(6-acetylthieno[2,3-d]pyrimidin-4-yl)piperazino]-4-(benzotriazol-1-yloxy)butan-1-one Formula: C22H23N7O3S MolecularWeight: 465.52812

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(N=CN=C2S1)N3CCN(CC3)C(=O)CCCON4C5=CC=CC=C5N=N4

Isomeric SMILES

CC(=O)C1=CC2=C(N=CN=C2S1)N3CCN(CC3)C(=O)CCCON4C5=CC=CC=C5N=N4

InChI

InChI=1S/C22H23N7O3S/c1-15(30)19-13-16-21(23-14-24-22(16)33-19)28-10-8-27(9-11-28)20(31)7-4-12-32-29-18-6-3-2-5-17(18)25-26-29/h2-3,5-6,13-14H,4,7-12H2,1H3