8-butyl-6-phenoxy-N-phenyl-7H-purin-2-amine

Systemtic Name: 8-butyl-6-phenoxy-N-phenyl-7H-purin-2-amine Openeye Name: 8-butyl-6-phenoxy-N-phenyl-7H-purin-2-amine CAS Name: 8-butyl-6-phenoxy-N-phenyl-7H-purin-2-amine IUPAC Name: 8-butyl-6-phenoxy-N-phenyl-7H-purin-2-amine Traditional Name: (8-butyl-6-phenoxy-7H-purin-2-yl)-phenyl-amine Formula: C21H21N5O MolecularWeight: 359.42434

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1)C(=NC(=N2)NC3=CC=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

CCCCC1=NC2=C(N1)C(=NC(=N2)NC3=CC=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C21H21N5O/c1-2-3-14-17-23-18-19(24-17)25-21(22-15-10-6-4-7-11-15)26-20(18)27-16-12-8-5-9-13-16/h4-13H,2-3,14H2,1H3,(H2,22,23,24,25,26)