N-(benzotriazol-1-yl)-3-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-3-oxidanylidene-propanamide

Systemtic Name: N-(benzotriazol-1-yl)-3-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-3-oxidanylidene-propanamide Openeye Name: N-(benzotriazol-1-yl)-3-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-3-oxo-propanamide CAS Name: N-(1-benzotriazolyl)-3-[4-(6-ethyl-4-thieno[2,3-d]pyrimidinyl)-1-piperazinyl]-3-oxopropanamide IUPAC Name: N-(benzotriazol-1-yl)-3-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-3-oxopropanamide Traditional Name: N-(benzotriazol-1-yl)-3-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazino]-3-keto-propionamide Formula: C21H22N8O2S MolecularWeight: 450.51678

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(N=CN=C2S1)N3CCN(CC3)C(=O)CC(=O)NN4C5=CC=CC=C5N=N4

Isomeric SMILES

CCC1=CC2=C(N=CN=C2S1)N3CCN(CC3)C(=O)CC(=O)NN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C21H22N8O2S/c1-2-14-11-15-20(22-13-23-21(15)32-14)28-9-7-27(8-10-28)19(31)12-18(30)25-29-17-6-4-3-5-16(17)24-26-29/h3-6,11,13H,2,7-10,12H2,1H3,(H,25,30)