benzene; 9-[(E)-4-phenylbut-3-enyl]purin-6-amine

Systemtic Name: benzene; 9-[(E)-4-phenylbut-3-enyl]purin-6-amine Openeye Name: benzene; 9-[(E)-4-phenylbut-3-enyl]purin-6-amine CAS Name: benzene; 9-[(E)-4-phenylbut-3-enyl]-6-purinamine IUPAC Name: benzene; 9-[(E)-4-phenylbut-3-enyl]purin-6-amine Traditional Name: benzene; [9-[(E)-4-phenylbut-3-enyl]purin-6-yl]amine Formula: C21H21N5 MolecularWeight: 343.42494

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=CC=C1.C1=CC=C(C=C1)C=CCCN2C=NC3=C2N=CN=C3N

Isomeric SMILES

C1=CC=CC=C1.C1=CC=C(C=C1)/C=C/CCN2C=NC3=C2N=CN=C3N

InChI

InChI=1S/C15H15N5.C6H6/c16-14-13-15(18-10-17-14)20(11-19-13)9-5-4-8-12-6-2-1-3-7-12;1-2-4-6-5-3-1/h1-4,6-8,10-11H,5,9H2,(H2,16,17,18);1-6H/b8-4+;