9-(1,3-benzodioxol-5-ylmethyl)-2-butoxy-N-(2-morpholin-4-ylethyl)purin-6-amine

Systemtic Name: 9-(1,3-benzodioxol-5-ylmethyl)-2-butoxy-N-(2-morpholin-4-ylethyl)purin-6-amine Openeye Name: 9-(1,3-benzodioxol-5-ylmethyl)-2-butoxy-N-(2-morpholinoethyl)purin-6-amine CAS Name: 9-(1,3-benzodioxol-5-ylmethyl)-2-butoxy-N-[2-(4-morpholinyl)ethyl]-6-purinamine IUPAC Name: 9-(1,3-benzodioxol-5-ylmethyl)-2-butoxy-N-(2-morpholin-4-ylethyl)purin-6-amine Traditional Name: (2-butoxy-9-piperonyl-purin-6-yl)-(2-morpholinoethyl)amine Formula: C23H30N6O4 MolecularWeight: 454.5221

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)NCCN3CCOCC3)N=CN2CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)NCCN3CCOCC3)N=CN2CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H30N6O4/c1-2-3-10-31-23-26-21(24-6-7-28-8-11-30-12-9-28)20-22(27-23)29(15-25-20)14-17-4-5-18-19(13-17)33-16-32-18/h4-5,13,15H,2-3,6-12,14,16H2,1H3,(H,24,26,27)