4-[6-(1,3-benzodioxol-5-ylmethylamino)-9-(3-phenylprop-2-enyl)purin-2-yl]-N-ethyl-2,5-dimethyl-piperazine-1-carboxamide

Systemtic Name: 4-[6-(1,3-benzodioxol-5-ylmethylamino)-9-(3-phenylprop-2-enyl)purin-2-yl]-N-ethyl-2,5-dimethyl-piperazine-1-carboxamide Openeye Name: 4-[6-(1,3-benzodioxol-5-ylmethylamino)-9-cinnamyl-purin-2-yl]-N-ethyl-2,5-dimethyl-piperazine-1-carboxamide CAS Name: 4-[6-(1,3-benzodioxol-5-ylmethylamino)-9-(3-phenylprop-2-enyl)-2-purinyl]-N-ethyl-2,5-dimethyl-1-piperazinecarboxamide IUPAC Name: 4-[6-(1,3-benzodioxol-5-ylmethylamino)-9-(3-phenylprop-2-enyl)purin-2-yl]-N-ethyl-2,5-dimethylpiperazine-1-carboxamide Traditional Name: 4-[9-cinnamyl-6-(piperonylamino)purin-2-yl]-N-ethyl-2,5-dimethyl-piperazine-1-carboxamide Formula: C31H36N8O3 MolecularWeight: 568.66934

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)N1CC(N(CC1C)C2=NC3=C(C(=N2)NCC4=CC5=C(C=C4)OCO5)N=CN3CC=CC6=CC=CC=C6)C

Isomeric SMILES

CCNC(=O)N1CC(N(CC1C)C2=NC3=C(C(=N2)NCC4=CC5=C(C=C4)OCO5)N=CN3CC=CC6=CC=CC=C6)C

InChI

InChI=1S/C31H36N8O3/c1-4-32-31(40)39-18-21(2)38(17-22(39)3)30-35-28(33-16-24-12-13-25-26(15-24)42-20-41-25)27-29(36-30)37(19-34-27)14-8-11-23-9-6-5-7-10-23/h5-13,15,19,21-22H,4,14,16-18,20H2,1-3H3,(H,32,40)(H,33,35,36)