9-[(E)-3-phenylprop-2-enyl]-8-[(3,4,5-trimethoxyphenyl)methyl]purin-6-amine

Systemtic Name: 9-[(E)-3-phenylprop-2-enyl]-8-[(3,4,5-trimethoxyphenyl)methyl]purin-6-amine Openeye Name: 9-[(E)-cinnamyl]-8-[(3,4,5-trimethoxyphenyl)methyl]purin-6-amine CAS Name: 9-[(E)-3-phenylprop-2-enyl]-8-[(3,4,5-trimethoxyphenyl)methyl]-6-purinamine IUPAC Name: 9-[(E)-3-phenylprop-2-enyl]-8-[(3,4,5-trimethoxyphenyl)methyl]purin-6-amine Traditional Name: [9-[(E)-cinnamyl]-8-(3,4,5-trimethoxybenzyl)purin-6-yl]amine Formula: C24H25N5O3 MolecularWeight: 431.487

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CC2=NC3=C(N2CC=CC4=CC=CC=C4)N=CN=C3N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CC2=NC3=C(N2C/C=C/C4=CC=CC=C4)N=CN=C3N

InChI

InChI=1S/C24H25N5O3/c1-30-18-12-17(13-19(31-2)22(18)32-3)14-20-28-21-23(25)26-15-27-24(21)29(20)11-7-10-16-8-5-4-6-9-16/h4-10,12-13,15H,11,14H2,1-3H3,(H2,25,26,27)/b10-7+