2-[(6-azanyl-7H-purin-3-ium-8-yl)sulfanyl]-N-(4-fluorophenyl)propanamide

Systemtic Name: 2-[(6-azanyl-7H-purin-3-ium-8-yl)sulfanyl]-N-(4-fluorophenyl)propanamide Openeye Name: 2-[(6-amino-7H-purin-3-ium-8-yl)sulfanyl]-N-(4-fluorophenyl)propanamide CAS Name: 2-[(6-amino-7H-purin-3-ium-8-yl)thio]-N-(4-fluorophenyl)propanamide IUPAC Name: 2-[(6-amino-7H-purin-3-ium-8-yl)sulfanyl]-N-(4-fluorophenyl)propanamide Traditional Name: 2-[(6-amino-7H-purin-3-ium-8-yl)thio]-N-(4-fluorophenyl)propionamide Formula: C14H14FN6OS+ MolecularWeight: 333.363963

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)F)SC2=NC3=[NH+]C=NC(=C3N2)N

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)F)SC2=NC3=[NH+]C=NC(=C3N2)N

InChI

InChI=1S/C14H13FN6OS/c1-7(13(22)19-9-4-2-8(15)3-5-9)23-14-20-10-11(16)17-6-18-12(10)21-14/h2-7H,1H3,(H,19,22)(H3,16,17,18,20,21)/p+1