3-[6-oxidanylidene-6-(4-pyridin-2-ylpiperazin-1-yl)hexyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione

Systemtic Name: 3-[6-oxidanylidene-6-(4-pyridin-2-ylpiperazin-1-yl)hexyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione Openeye Name: 3-[6-oxo-6-[4-(2-pyridyl)piperazin-1-yl]hexyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione CAS Name: 3-[6-oxo-6-[4-(2-pyridinyl)-1-piperazinyl]hexyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione IUPAC Name: 3-[6-oxo-6-(4-pyridin-2-ylpiperazin-1-yl)hexyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione Traditional Name: 3-[6-keto-6-[4-(2-pyridyl)piperazino]hexyl]-1H-thieno[3,2-d]pyrimidine-2,4-quinone Formula: C21H25N5O3S MolecularWeight: 427.5199

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C(=O)CCCCCN3C(=O)C4=C(C=CS4)NC3=O

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C(=O)CCCCCN3C(=O)C4=C(C=CS4)NC3=O

InChI

InChI=1S/C21H25N5O3S/c27-18(25-13-11-24(12-14-25)17-6-3-4-9-22-17)7-2-1-5-10-26-20(28)19-16(8-15-30-19)23-21(26)29/h3-4,6,8-9,15H,1-2,5,7,10-14H2,(H,23,29)