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

Systemtic Name: 4-(benzotriazol-2-yl)-1-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-one Openeye Name: 4-(benzotriazol-2-yl)-1-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-one CAS Name: 4-(2-benzotriazolyl)-1-[4-(6-ethyl-4-thieno[2,3-d]pyrimidinyl)-1-piperazinyl]-1-butanone IUPAC Name: 4-(benzotriazol-2-yl)-1-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-one Traditional Name: 4-(benzotriazol-2-yl)-1-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazino]butan-1-one Formula: C22H25N7OS MolecularWeight: 435.5452

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(N=CN=C2S1)N3CCN(CC3)C(=O)CCCN4N=C5C=CC=CC5=N4

Isomeric SMILES

CCC1=CC2=C(N=CN=C2S1)N3CCN(CC3)C(=O)CCCN4N=C5C=CC=CC5=N4

InChI

InChI=1S/C22H25N7OS/c1-2-16-14-17-21(23-15-24-22(17)31-16)28-12-10-27(11-13-28)20(30)8-5-9-29-25-18-6-3-4-7-19(18)26-29/h3-4,6-7,14-15H,2,5,8-13H2,1H3