N-(9-butyl-6-prop-2-enoxy-purin-2-yl)quinolin-3-amine

Systemtic Name: N-(9-butyl-6-prop-2-enoxy-purin-2-yl)quinolin-3-amine Openeye Name: N-(6-allyloxy-9-butyl-purin-2-yl)quinolin-3-amine CAS Name: N-(9-butyl-6-prop-2-enoxy-2-purinyl)-3-quinolinamine IUPAC Name: N-(9-butyl-6-prop-2-enoxypurin-2-yl)quinolin-3-amine Traditional Name: (6-allyloxy-9-butyl-purin-2-yl)-(3-quinolyl)amine Formula: C21H22N6O MolecularWeight: 374.43898

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC2=C1N=C(N=C2OCC=C)NC3=CC4=CC=CC=C4N=C3

Isomeric SMILES

CCCCN1C=NC2=C1N=C(N=C2OCC=C)NC3=CC4=CC=CC=C4N=C3

InChI

InChI=1S/C21H22N6O/c1-3-5-10-27-14-23-18-19(27)25-21(26-20(18)28-11-4-2)24-16-12-15-8-6-7-9-17(15)22-13-16/h4,6-9,12-14H,2-3,5,10-11H2,1H3,(H,24,25,26)