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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=C(C(=NC=N3)NCCC4=CC=CC=C4)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=C(C(=NC=N3)NCCC4=CC=CC=C4)N

InChI

InChI=1S/C20H21N5O2/c21-18-19(22-9-8-14-4-2-1-3-5-14)24-12-25-20(18)23-11-15-6-7-16-17(10-15)27-13-26-16/h1-7,10,12H,8-9,11,13,21H2,(H2,22,23,24,25)