9-butyl-N-(3-fluoranyl-4-methoxy-phenyl)-6-methoxy-purin-2-amine

Systemtic Name: 9-butyl-N-(3-fluoranyl-4-methoxy-phenyl)-6-methoxy-purin-2-amine Openeye Name: 9-butyl-N-(3-fluoro-4-methoxy-phenyl)-6-methoxy-purin-2-amine CAS Name: 9-butyl-N-(3-fluoro-4-methoxyphenyl)-6-methoxy-2-purinamine IUPAC Name: 9-butyl-N-(3-fluoro-4-methoxyphenyl)-6-methoxypurin-2-amine Traditional Name: (9-butyl-6-methoxy-purin-2-yl)-(3-fluoro-4-methoxy-phenyl)amine Formula: C17H20FN5O2 MolecularWeight: 345.371403

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC2=C1N=C(N=C2OC)NC3=CC(=C(C=C3)OC)F

Isomeric SMILES

CCCCN1C=NC2=C1N=C(N=C2OC)NC3=CC(=C(C=C3)OC)F

InChI

InChI=1S/C17H20FN5O2/c1-4-5-8-23-10-19-14-15(23)21-17(22-16(14)25-3)20-11-6-7-13(24-2)12(18)9-11/h6-7,9-10H,4-5,8H2,1-3H3,(H,20,21,22)