3-(1,3-benzodioxol-5-ylmethyl)-8-propan-2-yl-purin-6-amine

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-8-propan-2-yl-purin-6-amine Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-8-isopropyl-purin-6-amine CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-8-propan-2-yl-6-purinamine IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-8-propan-2-ylpurin-6-amine Traditional Name: (8-isopropyl-3-piperonyl-purin-6-yl)amine Formula: C16H17N5O2 MolecularWeight: 311.33848

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=C(N=CN(C2=N1)CC3=CC4=C(C=C3)OCO4)N

Isomeric SMILES

CC(C)C1=NC2=C(N=CN(C2=N1)CC3=CC4=C(C=C3)OCO4)N

InChI

InChI=1S/C16H17N5O2/c1-9(2)15-19-13-14(17)18-7-21(16(13)20-15)6-10-3-4-11-12(5-10)23-8-22-11/h3-5,7,9H,6,8,17H2,1-2H3