2-(isoquinolin-2-ium-2-ylmethyl)-1H-thieno[3,2-d]pyrimidin-4-one

Systemtic Name: 2-(isoquinolin-2-ium-2-ylmethyl)-1H-thieno[3,2-d]pyrimidin-4-one Openeye Name: 2-(isoquinolin-2-ium-2-ylmethyl)-1H-thieno[3,2-d]pyrimidin-4-one CAS Name: 2-(2-isoquinolin-2-iumylmethyl)-1H-thieno[3,2-d]pyrimidin-4-one IUPAC Name: 2-(isoquinolin-2-ium-2-ylmethyl)-1H-thieno[3,2-d]pyrimidin-4-one Traditional Name: 2-(isoquinolin-2-ium-2-ylmethyl)-1H-thieno[3,2-d]pyrimidin-4-one Formula: C16H12N3OS+ MolecularWeight: 294.35098

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=[N+](C=CC2=C1)CC3=NC(=O)C4=C(N3)C=CS4

Isomeric SMILES

C1=CC=C2C=[N+](C=CC2=C1)CC3=NC(=O)C4=C(N3)C=CS4

InChI

InChI=1S/C16H11N3OS/c20-16-15-13(6-8-21-15)17-14(18-16)10-19-7-5-11-3-1-2-4-12(11)9-19/h1-9H,10H2/p+1