chloric acid; N-(phenylmethyl)-7H-purin-6-amine

Systemtic Name: chloric acid; N-(phenylmethyl)-7H-purin-6-amine Openeye Name: N-benzyl-7H-purin-6-amine; chloric acid CAS Name: chloric acid; N-(phenylmethyl)-7H-purin-6-amine IUPAC Name: N-benzyl-7H-purin-6-amine; chloric acid Traditional Name: benzyl(7H-purin-6-yl)amine; chloric acid Formula: C12H12ClN5O3 MolecularWeight: 309.70838

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NC=NC3=C2NC=N3.OCl(=O)=O

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NC=NC3=C2NC=N3.OCl(=O)=O

InChI

InChI=1S/C12H11N5.ClHO3/c1-2-4-9(5-3-1)6-13-11-10-12(15-7-14-10)17-8-16-11;2-1(3)4/h1-5,7-8H,6H2,(H2,13,14,15,16,17);(H,2,3,4)