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

Systemtic Name: 6-phenyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 6-phenyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 6-phenyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 6-phenyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 6-phenyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C22H20N3OS+ MolecularWeight: 374.4787

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CC3=NC4=C(C=C(S4)C5=CC=CC=C5)C(=O)N3

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CC3=NC4=C(C=C(S4)C5=CC=CC=C5)C(=O)N3

InChI

InChI=1S/C22H19N3OS/c26-21-18-12-19(16-7-2-1-3-8-16)27-22(18)24-20(23-21)14-25-11-10-15-6-4-5-9-17(15)13-25/h1-9,12H,10-11,13-14H2,(H,23,24,26)/p+1