N6-(1,3-benzodioxol-5-ylmethyl)-N4-ethyl-N4-phenyl-pyrimidine-4,5,6-triamine

Systemtic Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-ethyl-N4-phenyl-pyrimidine-4,5,6-triamine Openeye Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-ethyl-N4-phenyl-pyrimidine-4,5,6-triamine CAS Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-ethyl-N4-phenylpyrimidine-4,5,6-triamine IUPAC Name: 6-N-(1,3-benzodioxol-5-ylmethyl)-4-N-ethyl-4-N-phenylpyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(piperonylamino)pyrimidin-4-yl]-ethyl-phenyl-amine Formula: C20H21N5O2 MolecularWeight: 363.41304

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)C2=NC=NC(=C2N)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCN(C1=CC=CC=C1)C2=NC=NC(=C2N)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H21N5O2/c1-2-25(15-6-4-3-5-7-15)20-18(21)19(23-12-24-20)22-11-14-8-9-16-17(10-14)27-13-26-16/h3-10,12H,2,11,13,21H2,1H3,(H,22,23,24)