3-[5-oxidanylidene-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pentyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione

Systemtic Name: 3-[5-oxidanylidene-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pentyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione Openeye Name: 3-[5-oxo-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pentyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione CAS Name: 3-[5-oxo-5-[4-(2-pyridin-1-iumyl)-1-piperazinyl]pentyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione IUPAC Name: 3-[5-oxo-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pentyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione Traditional Name: 3-[5-keto-5-(4-pyridin-1-ium-2-ylpiperazino)pentyl]-1H-thieno[3,2-d]pyrimidine-2,4-quinone Formula: C20H24N5O3S+ MolecularWeight: 414.50126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CCCCN3C(=O)C4=C(C=CS4)NC3=O

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CCCCN3C(=O)C4=C(C=CS4)NC3=O

InChI

InChI=1S/C20H23N5O3S/c26-17(24-12-10-23(11-13-24)16-5-1-3-8-21-16)6-2-4-9-25-19(27)18-15(7-14-29-18)22-20(25)28/h1,3,5,7-8,14H,2,4,6,9-13H2,(H,22,28)/p+1