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

Systemtic Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-(4-ethoxyphenyl)pyrimidine-4,5,6-triamine Openeye Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-(4-ethoxyphenyl)pyrimidine-4,5,6-triamine CAS Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-(4-ethoxyphenyl)pyrimidine-4,5,6-triamine IUPAC Name: 6-N-(1,3-benzodioxol-5-ylmethyl)-4-N-(4-ethoxyphenyl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(piperonylamino)pyrimidin-4-yl]-p-phenetyl-amine Formula: C20H21N5O3 MolecularWeight: 379.41244

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC2=C(C(=NC=N2)NCC3=CC4=C(C=C3)OCO4)N

Isomeric SMILES

CCOC1=CC=C(C=C1)NC2=C(C(=NC=N2)NCC3=CC4=C(C=C3)OCO4)N

InChI

InChI=1S/C20H21N5O3/c1-2-26-15-6-4-14(5-7-15)25-20-18(21)19(23-11-24-20)22-10-13-3-8-16-17(9-13)28-12-27-16/h3-9,11H,2,10,12,21H2,1H3,(H2,22,23,24,25)