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

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-8-propan-2-yl-purin-6-amine Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-8-isopropyl-purin-6-amine CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-8-propan-2-yl-6-purinamine IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-8-propan-2-ylpurin-6-amine Traditional Name: ethyl-(8-isopropyl-3-piperonyl-purin-6-yl)amine Formula: C18H21N5O2 MolecularWeight: 339.39164

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C2C(=NC(=N2)C(C)C)N(C=N1)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCNC1=C2C(=NC(=N2)C(C)C)N(C=N1)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H21N5O2/c1-4-19-17-15-18(22-16(21-15)11(2)3)23(9-20-17)8-12-5-6-13-14(7-12)25-10-24-13/h5-7,9,11,19H,4,8,10H2,1-3H3