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

Systemtic Name: 3-[3-oxidanylidene-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione Openeye Name: 3-[3-oxo-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione CAS Name: 3-[3-oxo-3-[4-(2-pyridin-1-iumyl)-1-piperazinyl]propyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione IUPAC Name: 3-[3-oxo-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione Traditional Name: 3-[3-keto-3-(4-pyridin-1-ium-2-ylpiperazino)propyl]-1H-thieno[3,2-d]pyrimidine-2,4-quinone Formula: C18H20N5O3S+ MolecularWeight: 386.4481

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CCN3C(=O)C4=C(C=CS4)NC3=O

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CCN3C(=O)C4=C(C=CS4)NC3=O

InChI

InChI=1S/C18H19N5O3S/c24-15(22-10-8-21(9-11-22)14-3-1-2-6-19-14)4-7-23-17(25)16-13(5-12-27-16)20-18(23)26/h1-3,5-6,12H,4,7-11H2,(H,20,26)/p+1