8-bromanyl-2-(3-phenylpropoxy)-9-prop-2-enyl-purin-6-amine

Systemtic Name: 8-bromanyl-2-(3-phenylpropoxy)-9-prop-2-enyl-purin-6-amine Openeye Name: 9-allyl-8-bromo-2-(3-phenylpropoxy)purin-6-amine CAS Name: 8-bromo-2-(3-phenylpropoxy)-9-prop-2-enyl-6-purinamine IUPAC Name: 8-bromo-2-(3-phenylpropoxy)-9-prop-2-enylpurin-6-amine Traditional Name: [9-allyl-8-bromo-2-(3-phenylpropoxy)purin-6-yl]amine Formula: C17H18BrN5O MolecularWeight: 388.26172

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=C(C(=NC(=N2)OCCCC3=CC=CC=C3)N)N=C1Br

Isomeric SMILES

C=CCN1C2=C(C(=NC(=N2)OCCCC3=CC=CC=C3)N)N=C1Br

InChI

InChI=1S/C17H18BrN5O/c1-2-10-23-15-13(20-16(23)18)14(19)21-17(22-15)24-11-6-9-12-7-4-3-5-8-12/h2-5,7-8H,1,6,9-11H2,(H2,19,21,22)