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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C2=NC=NC(=C2N)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN(CC1=CC=CC=C1)C2=NC=NC(=C2N)NCC3=CC4=C(C=C3)OCO4

InChI

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