1-methyl-N2-(1-phenylpropan-2-yl)-7H-purin-1-ium-2,6-diamine chloride

Systemtic Name: 1-methyl-N2-(1-phenylpropan-2-yl)-7H-purin-1-ium-2,6-diamine chloride Openeye Name: 1-methyl-N2-(1-methyl-2-phenyl-ethyl)-7H-purin-1-ium-2,6-diamine chloride CAS Name: 1-methyl-N2-(1-phenylpropan-2-yl)-7H-purin-1-ium-2,6-diamine chloride IUPAC Name: 1-methyl-2-N-(1-phenylpropan-2-yl)-7H-purin-1-ium-2,6-diamine chloride Traditional Name: (6-amino-1-methyl-7H-purin-1-ium-2-yl)-(1-methyl-2-phenyl-ethyl)amine chloride Formula: C15H19ClN6 MolecularWeight: 318.80456

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1)NC2=NC3=C(C(=[N+]2C)N)NC=N3.[Cl-]

Isomeric SMILES

CC(CC1=CC=CC=C1)NC2=NC3=C(C(=[N+]2C)N)NC=N3.[Cl-]

InChI

InChI=1S/C15H18N6.ClH/c1-10(8-11-6-4-3-5-7-11)19-15-20-14-12(17-9-18-14)13(16)21(15)2;/h3-7,9-10H,8H2,1-2H3,(H3,16,17,18,19,20);1H