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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC2=NC=NC(=C2N)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C1=CC=CC=C1)NC2=NC=NC(=C2N)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H21N5O2/c1-13(15-5-3-2-4-6-15)25-20-18(21)19(23-11-24-20)22-10-14-7-8-16-17(9-14)27-12-26-16/h2-9,11,13H,10,12,21H2,1H3,(H2,22,23,24,25)