N-(8-butyl-6-ethoxy-7H-purin-2-yl)quinolin-3-amine

Systemtic Name: N-(8-butyl-6-ethoxy-7H-purin-2-yl)quinolin-3-amine Openeye Name: N-(8-butyl-6-ethoxy-7H-purin-2-yl)quinolin-3-amine CAS Name: N-(8-butyl-6-ethoxy-7H-purin-2-yl)-3-quinolinamine IUPAC Name: N-(8-butyl-6-ethoxy-7H-purin-2-yl)quinolin-3-amine Traditional Name: (8-butyl-6-ethoxy-7H-purin-2-yl)-(3-quinolyl)amine Formula: C20H22N6O MolecularWeight: 362.42828

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1)C(=NC(=N2)NC3=CC4=CC=CC=C4N=C3)OCC

Isomeric SMILES

CCCCC1=NC2=C(N1)C(=NC(=N2)NC3=CC4=CC=CC=C4N=C3)OCC

InChI

InChI=1S/C20H22N6O/c1-3-5-10-16-23-17-18(24-16)25-20(26-19(17)27-4-2)22-14-11-13-8-6-7-9-15(13)21-12-14/h6-9,11-12H,3-5,10H2,1-2H3,(H2,22,23,24,25,26)