6-[(2-methylnaphthalen-1-yl)methylsulfanyl]-9-(2-methylpropyl)-7H-purin-9-ium-2-amine

Systemtic Name: 6-[(2-methylnaphthalen-1-yl)methylsulfanyl]-9-(2-methylpropyl)-7H-purin-9-ium-2-amine Openeye Name: 9-isobutyl-6-[(2-methyl-1-naphthyl)methylsulfanyl]-7H-purin-9-ium-2-amine CAS Name: 6-[(2-methyl-1-naphthalenyl)methylthio]-9-(2-methylpropyl)-7H-purin-9-ium-2-amine IUPAC Name: 6-[(2-methylnaphthalen-1-yl)methylsulfanyl]-9-(2-methylpropyl)-7H-purin-9-ium-2-amine Traditional Name: [9-isobutyl-6-[(2-methyl-1-naphthyl)methylthio]-7H-purin-9-ium-2-yl]amine Formula: C21H24N5S+ MolecularWeight: 378.51376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2C=C1)CSC3=NC(=NC4=C3NC=[N+]4CC(C)C)N

Isomeric SMILES

CC1=C(C2=CC=CC=C2C=C1)CSC3=NC(=NC4=C3NC=[N+]4CC(C)C)N

InChI

InChI=1S/C21H23N5S/c1-13(2)10-26-12-23-18-19(26)24-21(22)25-20(18)27-11-17-14(3)8-9-15-6-4-5-7-16(15)17/h4-9,12-13H,10-11H2,1-3H3,(H2,22,24,25)/p+1