3-cyclopropyl-3-propyl-6-(pyridin-4-ylmethylamino)-9H-purin-3-ium-2-thione

Systemtic Name: 3-cyclopropyl-3-propyl-6-(pyridin-4-ylmethylamino)-9H-purin-3-ium-2-thione Openeye Name: 3-cyclopropyl-3-propyl-6-(4-pyridylmethylamino)-9H-purin-3-ium-2-thione CAS Name: 3-cyclopropyl-3-propyl-6-(pyridin-4-ylmethylamino)-9H-purin-3-ium-2-thione IUPAC Name: 3-cyclopropyl-3-propyl-6-(pyridin-4-ylmethylamino)-9H-purin-3-ium-2-thione Traditional Name: 3-cyclopropyl-3-propyl-6-(4-pyridylmethylamino)-9H-purin-3-ium-2-thione Formula: C17H21N6S+ MolecularWeight: 341.45384

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1(C2=C(C(=NC1=S)NCC3=CC=NC=C3)N=CN2)C4CC4

Isomeric SMILES

CCC[N+]1(C2=C(C(=NC1=S)NCC3=CC=NC=C3)N=CN2)C4CC4

InChI

InChI=1S/C17H20N6S/c1-2-9-23(13-3-4-13)16-14(20-11-21-16)15(22-17(23)24)19-10-12-5-7-18-8-6-12/h5-8,11,13H,2-4,9-10H2,1H3,(H-,19,20,21,22,24)/p+1