1,3-dimethyl-8-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-7H-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-7H-purine-2,6-dione Openeye Name: 1,3-dimethyl-8-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-7H-purine-2,6-dione CAS Name: 1,3-dimethyl-8-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-7H-purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-7H-purine-2,6-dione Traditional Name: 1,3-dimethyl-8-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-7H-purine-2,6-quinone Formula: C17H20N5O2+ MolecularWeight: 326.373

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C[NH+]3CCC4=CC=CC=C4C3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C[NH+]3CCC4=CC=CC=C4C3

InChI

InChI=1S/C17H19N5O2/c1-20-15-14(16(23)21(2)17(20)24)18-13(19-15)10-22-8-7-11-5-3-4-6-12(11)9-22/h3-6H,7-10H2,1-2H3,(H,18,19)/p+1