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

Systemtic Name: 4-(benzotriazol-1-yloxy)-1-[4-(6-nitrothieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-one Openeye Name: 4-(benzotriazol-1-yloxy)-1-[4-(6-nitrothieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-one CAS Name: 4-(1-benzotriazolyloxy)-1-[4-(6-nitro-4-thieno[2,3-d]pyrimidinyl)-1-piperazinyl]-1-butanone IUPAC Name: 4-(benzotriazol-1-yloxy)-1-[4-(6-nitrothieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-one Traditional Name: 4-(benzotriazol-1-yloxy)-1-[4-(6-nitrothieno[2,3-d]pyrimidin-4-yl)piperazino]butan-1-one Formula: C20H20N8O4S MolecularWeight: 468.489

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C3C=C(SC3=NC=N2)[N+](=O)[O-])C(=O)CCCON4C5=CC=CC=C5N=N4

Isomeric SMILES

C1CN(CCN1C2=C3C=C(SC3=NC=N2)[N+](=O)[O-])C(=O)CCCON4C5=CC=CC=C5N=N4

InChI

InChI=1S/C20H20N8O4S/c29-17(6-3-11-32-27-16-5-2-1-4-15(16)23-24-27)25-7-9-26(10-8-25)19-14-12-18(28(30)31)33-20(14)22-13-21-19/h1-2,4-5,12-13H,3,6-11H2