9-butyl-N-(4-chlorophenyl)-6-ethoxy-purin-2-amine

Systemtic Name: 9-butyl-N-(4-chlorophenyl)-6-ethoxy-purin-2-amine Openeye Name: 9-butyl-N-(4-chlorophenyl)-6-ethoxy-purin-2-amine CAS Name: 9-butyl-N-(4-chlorophenyl)-6-ethoxy-2-purinamine IUPAC Name: 9-butyl-N-(4-chlorophenyl)-6-ethoxypurin-2-amine Traditional Name: (9-butyl-6-ethoxy-purin-2-yl)-(4-chlorophenyl)amine Formula: C17H20ClN5O MolecularWeight: 345.8266

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC2=C1N=C(N=C2OCC)NC3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCN1C=NC2=C1N=C(N=C2OCC)NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H20ClN5O/c1-3-5-10-23-11-19-14-15(23)21-17(22-16(14)24-4-2)20-13-8-6-12(18)7-9-13/h6-9,11H,3-5,10H2,1-2H3,(H,20,21,22)